ARTICLE
|
doi:10.20944/preprints202308.1329.v1
Subject:
Chemistry And Materials Science,
Ceramics And Composites
Keywords:
molecular dynamics simulation; ytterbium pyrochlore oxides; nuclear waste substrate; displacement cascades; lattice constants; high entropy alloys; LAMMPS
Online: 18 August 2023 (07:22:26 CEST)
REVIEW
|
doi:10.20944/preprints202304.1239.v1
Subject:
Medicine And Pharmacology,
Oncology And Oncogenics
Keywords:
Cervical cancer; Human papillomavirus (HPV); Photodynamic therapy (PDT); Squamous in-traepithelial neoplasia; Bibliometric analysis; Molecular Docking; Fullerene
Online: 30 April 2023 (02:31:30 CEST)
DATASET
|
doi:10.20944/preprints202304.1187.v1
Subject:
Physical Sciences,
Atomic And Molecular Physics
Keywords:
Causal molecular out-flow; radiation field tension; vacuum elemental condensation; visible and invisible universes; wave-particle duality
Online: 28 April 2023 (14:04:43 CEST)
ARTICLE
|
doi:10.20944/preprints202304.0522.v1
Subject:
Biology And Life Sciences,
Biochemistry And Molecular Biology
Keywords:
ORF7b; SARS-CoV-2; COVID-19; 3D-structure; molecular dynamics; dipole vector; Electrostatic properties of alpha-helix.
Online: 18 April 2023 (11:14:01 CEST)
REVIEW
|
doi:10.20944/preprints202302.0458.v1
Subject:
Medicine And Pharmacology,
Dermatology
Keywords:
atopic eczema; dermatitis; allergy; itch; skin disease; treatment; prevention; epidemiology; ethnic differences; cellular; molecular; immunological; physiological therapeutic
Online: 27 February 2023 (08:30:54 CET)
BRIEF REPORT
|
doi:10.20944/preprints202211.0239.v2
Subject:
Physical Sciences,
Atomic And Molecular Physics
Keywords:
molecular spectroscopy; diatomic molecules; cavity ring-down spectroscopy; absorption spectroscopy; methylidyne; line strength data; plasma physics; astrophysics
Online: 19 December 2022 (02:45:09 CET)
ARTICLE
|
doi:10.20944/preprints202211.0203.v1
Subject:
Biology And Life Sciences,
Insect Science
Keywords:
Tungiasis; Tunga penetrans; molecular entomology; DNA isolation; Phusion® polymerase; FIREpol® Taq polymerase; low-cost PCR,
Online: 10 November 2022 (11:19:42 CET)
ARTICLE
|
doi:10.20944/preprints202211.0067.v1
Subject:
Engineering,
Energy And Fuel Technology
Keywords:
Methane; adsorption; shale gas; coalbed methane; slit pore; carbon dioxide; modelling; Grand Canonical Monte Carlo; Molecular Dynamics.
Online: 3 November 2022 (03:38:20 CET)
REVIEW
|
doi:10.20944/preprints202209.0201.v1
Subject:
Chemistry And Materials Science,
Medicinal Chemistry
Keywords:
ligand-based pharmacophores; structure-based pharmacophores; virtual screening; drug design; machine learning; molecular dynamics; de novo design
Online: 14 September 2022 (09:10:58 CEST)
REVIEW
|
doi:10.20944/preprints202205.0171.v1
Subject:
Biology And Life Sciences,
Biophysics
Keywords:
principal component analysis; collective variables; molecular dynamics; energy landscape; solvent effects; linear response theory; independent component analysis
Online: 12 May 2022 (10:53:37 CEST)
ARTICLE
|
doi:10.20944/preprints202201.0046.v1
Subject:
Biology And Life Sciences,
Biophysics
Keywords:
voltage-gated sodium channels; cardiac sodium channels; SCN5A; veratridine; toxins; molecular docking; Rosetta; electrophysiology; site-directed mutagenesis
Online: 5 January 2022 (18:02:52 CET)
ARTICLE
|
doi:10.20944/preprints202112.0075.v1
Subject:
Biology And Life Sciences,
Biochemistry And Molecular Biology
Keywords:
Sex chromosomes; Hill-Robertson interference; male-driven molecular evolution; pseudoautosomal region; pseudogenes; purifying selection; protein structure; Psittaciformes
Online: 6 December 2021 (13:21:10 CET)
ARTICLE
Subject:
Engineering,
Bioengineering
Keywords:
AI; deep-learning; neural-networks; graph neural-networks; cheminformatics; molecular property; machine-learning; computational chemistry; lipophilicity; solubility
Online: 1 October 2021 (14:29:01 CEST)
ARTICLE
|
doi:10.20944/preprints202108.0313.v1
Subject:
Biology And Life Sciences,
Immunology And Microbiology
Keywords:
Pecorino di Farindola cheese; lactic acid bacteria (LAB); molecular characterization; Lacticaseibacillus paracasei selected culture; cheese making trial
Online: 16 August 2021 (08:47:09 CEST)
ARTICLE
|
doi:10.20944/preprints202105.0039.v1
Subject:
Chemistry And Materials Science,
Analytical Chemistry
Keywords:
antifungal activity; Candida albicans; antibiofilm effect; mode of action; cytotoxicity; hemolytic assay; HOMO-LUMO; molecular electrostatic potential
Online: 5 May 2021 (12:04:01 CEST)
ARTICLE
|
doi:10.20944/preprints202104.0732.v1
Subject:
Medicine And Pharmacology,
Immunology And Allergy
Keywords:
Epidermal Growth Factor Receptor (EGFR); mutations, EGFR tyrosine kinase inhibitor; molecular epidemiology; Non-small-cell lung cancer
Online: 28 April 2021 (07:55:22 CEST)
ARTICLE
|
doi:10.20944/preprints202104.0475.v1
Subject:
Medicine And Pharmacology,
Immunology And Allergy
Keywords:
drug repurposing; virtual screening; multiscale; multitargeting; polypharmacology; computational biology; drug repositioning; structural bioinformatics; molecular docking; proteomic signature
Online: 19 April 2021 (12:22:05 CEST)
ARTICLE
|
doi:10.20944/preprints202009.0643.v1
Subject:
Chemistry And Materials Science,
Analytical Chemistry
Keywords:
dispersion; ketone-alcohol complexes; density functional theory; hydrogen bonds; molecular recognition; vibrational spectroscopy; gas phase; benchmark; pinacolone
Online: 26 September 2020 (14:57:33 CEST)
REVIEW
|
doi:10.20944/preprints202009.0526.v1
Subject:
Biology And Life Sciences,
Virology
Keywords:
COVID-19 testing; molecular diagnostics; immunological testing; RT-qPCR; ELISA; pool PCR; lateral flow assay; rapid assay
Online: 23 September 2020 (03:33:12 CEST)
ARTICLE
|
doi:10.20944/preprints201907.0156.v1
Subject:
Physical Sciences,
Atomic And Molecular Physics
Keywords:
molecular spectroscopy; diatomic spectroscopy; Abel transform; plasma spectroscopy; laser-induced breakdown spectroscopy; laser-induced plasma; plasma dynamics
Online: 11 July 2019 (09:30:23 CEST)
REVIEW
|
doi:10.20944/preprints201906.0118.v1
Subject:
Chemistry And Materials Science,
Theoretical Chemistry
Keywords:
beef tallow biodiesel; fatty acid esters; atomic charge; molecular dipole moment; HOMO-LUMO energy gap; electrostatic potential
Online: 13 June 2019 (09:37:39 CEST)
ARTICLE
|
doi:10.20944/preprints201811.0183.v2
Subject:
Biology And Life Sciences,
Biochemistry And Molecular Biology
Keywords:
sequencing technologies; NGS; genome research; genome assembly; variant calling; RNA-Seq; transcriptome assembly; bioinformatics; molecular biology; education
Online: 13 November 2018 (10:22:06 CET)
REVIEW
|
doi:10.20944/preprints201809.0236.v1
Subject:
Biology And Life Sciences,
Biophysics
Keywords:
molecular dynamics simulation; rare event; string method; multiscale enhanced sampling; weighted ensemble; multidrug transporter; Onsager-Machlup action
Online: 13 September 2018 (12:01:39 CEST)
ARTICLE
|
doi:10.20944/preprints201706.0132.v1
Subject:
Chemistry And Materials Science,
Medicinal Chemistry
Keywords:
arylamine N-acetyltransferases; cancer; tuberculosis; drug discovery; traditional Chinese medicine; virtual screening; molecular dynamics simulation; MM-PBSA
Online: 30 June 2017 (11:36:22 CEST)
ARTICLE
|
doi:10.20944/preprints202405.1510.v1
Subject:
Chemistry And Materials Science,
Organic Chemistry
Keywords:
free base porphyrin; isonicotinic acid; X-ray molecular structure; UV-visible; fluorescence; antioxidant activity; antifungal activity; allelopathic activity
Online: 23 May 2024 (12:30:45 CEST)
ARTICLE
|
doi:10.20944/preprints202306.0385.v1
Subject:
Chemistry And Materials Science,
Medicinal Chemistry
Keywords:
acetaminophen; 1,4-disubstituted 1,2,3-triazoles; molecular hybrids; azide-alkyne cycloaddition; Huisgen reaction; Cu(PPh3)3Br catalyst; click chemistry
Online: 6 June 2023 (05:36:48 CEST)
ARTICLE
|
doi:10.20944/preprints202305.2271.v1
Subject:
Chemistry And Materials Science,
Chemical Engineering
Keywords:
macroporous cryogel; catalase; entrapment; oxidation of ethanol; hydrogen peroxide; molecular oxygen, air; flow-through reactor; batch type reactor
Online: 31 May 2023 (14:47:38 CEST)
ARTICLE
|
doi:10.20944/preprints202304.0082.v1
Subject:
Biology And Life Sciences,
Virology
Keywords:
COVID-19; drug repurposing; methotrexate; EXSCALATE; virtual screening; molecular docking; antiviral activity; SARS-CoV-2; viral entry; nsp13
Online: 6 April 2023 (09:21:51 CEST)
ARTICLE
|
doi:10.20944/preprints202211.0404.v1
Subject:
Physical Sciences,
Condensed Matter Physics
Keywords:
fermion sign problem; path integral molecular dynamics; path integral Monte Carlo; thermodynamic properties; large Fermi system; ground state
Online: 22 November 2022 (03:56:48 CET)
ARTICLE
|
doi:10.20944/preprints202208.0478.v1
Subject:
Biology And Life Sciences,
Immunology And Microbiology
Keywords:
antibacterial proteins; encapsulating protein; high molecular-weight bacteriocins; insect patho-genic bacterium; phage tail-like protein; purification methods
Online: 29 August 2022 (09:00:10 CEST)
ARTICLE
|
doi:10.20944/preprints202202.0349.v1
Subject:
Medicine And Pharmacology,
Pharmacology And Toxicology
Keywords:
Hypoxia-inducible factor; cancer; hypoxia; drug discovery; medicinal chemistry; virtual screening; molecular dynamics simulation; MM-PBSA; Drug discovery
Online: 28 February 2022 (08:40:24 CET)
ARTICLE
|
doi:10.20944/preprints202109.0333.v1
Subject:
Biology And Life Sciences,
Biophysics
Keywords:
small RNA Oxys; RNA chaperone Hfq protein; gene expression regulator; molecular dynamics simulations; binding free energy; interaction entropy
Online: 20 September 2021 (12:47:28 CEST)
ARTICLE
|
doi:10.20944/preprints202107.0420.v1
Subject:
Biology And Life Sciences,
Immunology And Microbiology
Keywords:
CURE; undergraduate research; natural selection; experimental evolution; molecular biology; genetics; structure- 46 function relationships; introductory biology; laboratory exercise
Online: 19 July 2021 (15:47:18 CEST)
ARTICLE
|
doi:10.20944/preprints202105.0011.v1
Subject:
Biology And Life Sciences,
Biochemistry And Molecular Biology
Keywords:
Annocatacin B; ND1 Subunit; Mitochondrial Respiratory Complex I; MRC-I; Molecular Dynamics Simulations; MD; Hirshfeld Charges; MM/PBSA
Online: 3 May 2021 (16:13:49 CEST)
REVIEW
|
doi:10.20944/preprints202012.0081.v3
Subject:
Chemistry And Materials Science,
Physical Chemistry
Keywords:
dividing and conquering; caching; coarse graining; enhanced sampling; generalized solvation free energy; molecular simulation; local free energy landscape
Online: 4 March 2021 (09:54:42 CET)
ARTICLE
|
doi:10.20944/preprints202003.0267.v1
Subject:
Chemistry And Materials Science,
Physical Chemistry
Keywords:
COVID-19; SARS-CoV-2; RNA-dependent RNA polymerase (RdRp); remdesivir; homology model; molecular dynamics; free energy perturbation
Online: 17 March 2020 (04:07:15 CET)
ARTICLE
|
doi:10.20944/preprints201912.0374.v1
Subject:
Biology And Life Sciences,
Biophysics
Keywords:
alpha-fetoprotein; estrogens; selective estrogen receptor modulators; homology-based modeling; molecular docking; protein-ligand interaction; amino acid substitutions
Online: 29 December 2019 (08:08:23 CET)
ARTICLE
|
doi:10.20944/preprints201912.0112.v1
Subject:
Biology And Life Sciences,
Cell And Developmental Biology
Keywords:
apoptosis; necrosis; brown algae,; mitochondria; mg63 cells; fucoidan; molecular weight fraction; crude extract; cell cycle; transmission electron microscopy
Online: 9 December 2019 (03:45:59 CET)
ARTICLE
|
doi:10.20944/preprints201911.0103.v1
Subject:
Chemistry And Materials Science,
Physical Chemistry
Keywords:
cross sections; molecular beam scattering; charge trasfer; coupled cluster; excited states; ionization potential; electron affinity; interaction potential; stereoselectivity
Online: 10 November 2019 (09:53:18 CET)
REVIEW
|
doi:10.20944/preprints201807.0116.v1
Subject:
Chemistry And Materials Science,
Medicinal Chemistry
Keywords:
chemical space; chemoinformatics; data mining; databases; DNMT inhibitors; drug discovery; epi-informatics; molecular modeling; similarity searching; virtual screening
Online: 6 July 2018 (10:04:44 CEST)
ARTICLE
|
doi:10.20944/preprints202007.0011.v1
Subject:
Physical Sciences,
Quantum Science And Technology
Keywords:
quantum mechanics; algebraic geometry; algebraic number theory; commutative algebra; Gr¨onber basis; primary ideal decomposition, eigenvalue problem in quantum mechanics; molecular orbital theory; quantum chemistry; quantum chemistry in algebraic variety; symbolic computation; algebraic molecular orbital theory; Galois theory; class field theory
Online: 3 July 2020 (04:54:16 CEST)
Subject:
Biology And Life Sciences,
Aging
Keywords:
human biology; animal biology; psychology; "fight-or-flight" effect; relativity; molecular clock; circadian rhythm; aging; time; space; philosophy; religion
Online: 30 July 2024 (16:49:43 CEST)
ARTICLE
|
doi:10.20944/preprints202407.0487.v1
Subject:
Medicine And Pharmacology,
Pulmonary And Respiratory Medicine
Keywords:
Neutrophil to lymphocyte ratio (NLR); Platelets to lymphocite ratio (PLR); Non Small Cell Lung Cancer (NSCLC); molecular mutations; EGFR
Online: 6 July 2024 (03:29:58 CEST)
ARTICLE
|
doi:10.20944/preprints202403.0578.v1
Subject:
Chemistry And Materials Science,
Nanotechnology
Keywords:
Car– Parrinello molecular dynamics; graphene nanopores; hexagonal boron nitride nanopores; structure of water; partial ion dehydration; water desalination
Online: 11 March 2024 (18:12:33 CET)
ARTICLE
|
doi:10.20944/preprints202402.1760.v1
Subject:
Biology And Life Sciences,
Food Science And Technology
Keywords:
straw mushroom; peptides from triple enzymatically hydrolyzed straw mushroom proteins; molecular docking; UPLC-Q-TOF-MS/MS; T1R1/T1R3
Online: 1 March 2024 (08:22:33 CET)
ARTICLE
|
doi:10.20944/preprints202312.2232.v1
Subject:
Biology And Life Sciences,
Biochemistry And Molecular Biology
Keywords:
Chaperone system; molecular chaperones; Hsp10; Hsp27; Hsp60; Hsp90; vocal cords; squamous cell carcinoma; immunohistochemistry; Hsps in carcinogenesis; Hsps biomarkers
Online: 29 December 2023 (11:27:50 CET)
ARTICLE
|
doi:10.20944/preprints202312.0487.v1
Subject:
Chemistry And Materials Science,
Organic Chemistry
Keywords:
heterocyclization; Michael addition; dithiomalondiamides; dithiolo[3,4-b]pyridines; DFT calculations; reaction mechanism studies; herbicide safeners; molecular docking; ADMET properties.
Online: 7 December 2023 (07:07:11 CET)
ARTICLE
|
doi:10.20944/preprints202311.1542.v1
Subject:
Biology And Life Sciences,
Biochemistry And Molecular Biology
Keywords:
IL-1R; Interleukin– 1 receptor; Il-1 receptor; Glycyrrhiza glabra; Licorice; Flavonoid; Inflammation; Periodontitis; Molecular docking; In silico
Online: 24 November 2023 (02:39:37 CET)
ARTICLE
|
doi:10.20944/preprints202310.1614.v1
Subject:
Engineering,
Industrial And Manufacturing Engineering
Keywords:
central dogma of molecular biology; DNA-based computing; smart manufacturing, biologicalization of manufacturing; image processing; pattern recognition; sensor signals
Online: 25 October 2023 (11:46:25 CEST)
REVIEW
|
doi:10.20944/preprints202310.1375.v1
Subject:
Medicine And Pharmacology,
Pharmacy
Keywords:
gentiopicroside; Gentianaceae; in vitro and in vivo pharmacological activity; molecular mechanism of bioactivity; health benefits; semisynthetic derivatives of gentiopicroside
Online: 23 October 2023 (10:32:48 CEST)
ARTICLE
|
doi:10.20944/preprints202308.0429.v1
Subject:
Biology And Life Sciences,
Biology And Biotechnology
Keywords:
thrombosis; kinetic parameters; cell growth; protein purification; biomass production; Chlorophyceae; agro-industrial sub-product; extraction methods; molecular weight; chromatography
Online: 4 August 2023 (10:49:13 CEST)
ARTICLE
|
doi:10.20944/preprints202308.0184.v1
Subject:
Biology And Life Sciences,
Biochemistry And Molecular Biology
Keywords:
C5-modified dUTPs; A and B family DNA polymerases; PCR amplification; X-ray structure; molecular modeling; non-covalent interactions
Online: 2 August 2023 (08:21:50 CEST)
REVIEW
|
doi:10.20944/preprints202301.0053.v1
Subject:
Chemistry And Materials Science,
Nanotechnology
Keywords:
gastrin releasing peptide receptor; GRPR; bombesin receptor subtype 2; BB2; bombesin; targeted therapy; molecular imaging; theranostics; nanotechnology; nanoparticle; nanomedicine
Online: 4 January 2023 (03:19:26 CET)
REVIEW
|
doi:10.20944/preprints202209.0238.v1
Subject:
Biology And Life Sciences,
Biochemistry And Molecular Biology
Keywords:
Free-living amoebas; FLA; genotypes; molecular epidemiology; Genomic epidemiology; Balamuthia mandrillaris; Naegleria fowleri; Acanthamoeba spp.; Vermamoeba vermiformis; Sappinia pedata
Online: 16 September 2022 (07:09:01 CEST)
ARTICLE
|
doi:10.20944/preprints202208.0392.v1
Subject:
Biology And Life Sciences,
Virology
Keywords:
Severe Acute Respiratory Syndrome-CoV-2 (SARS-CoV2), COVID-19, molecular diagnostics, real-time polymerase chain reaction (RT-qPCR)
Online: 23 August 2022 (03:55:44 CEST)
ARTICLE
|
doi:10.20944/preprints202207.0380.v1
Subject:
Medicine And Pharmacology,
Pathology And Pathobiology
Keywords:
SARS-CoV-2; COVID-19; autoantibodies; autoimmune endocrinopathies; long-COVID syndrome; molecular mimicry; thyroid gland; adrenals; pituitary; Langerhans’ islets
Online: 26 July 2022 (03:42:01 CEST)
REVIEW
|
doi:10.20944/preprints202104.0339.v1
Subject:
Biology And Life Sciences,
Biochemistry And Molecular Biology
Keywords:
neurodegeneration, glucose metabolism, enzyme catalysis, protein-protein interaction, hydrogen exchange mass spectrometry, protein cross-linking, protein assembly, molecular modeling
Online: 13 April 2021 (10:19:30 CEST)
ARTICLE
|
doi:10.20944/preprints202004.0390.v1
Subject:
Biology And Life Sciences,
Virology
Keywords:
SARS-CoV-2; COVID-19; SARS-CoV; ACE2; spike protein; phosphorylation; O-β-GlcNAcylation; molecular docking; chloroquine; 2-hydroxybenzohydrazine
Online: 22 April 2020 (06:01:00 CEST)
COMMUNICATION
|
doi:10.20944/preprints202002.0418.v2
Subject:
Medicine And Pharmacology,
Pharmacology And Toxicology
Keywords:
virtual screening; molecular docking; drug repurposing; drug repositioning; anti-viral drugs; Coronavirus; COVID-19; 2019-nCoV; SARS-CoV-2
Online: 9 March 2020 (02:29:04 CET)
ARTICLE
Subject:
Physical Sciences,
Atomic And Molecular Physics
Keywords:
plasma diagnostics; molecular spectra; diatomic molecules; plasma spectroscopy; laser spectroscopy; laser-induced breakdown spectroscopy; optical emission spectroscopy; hypersonic expansion
Online: 15 January 2020 (07:12:25 CET)
ARTICLE
|
doi:10.20944/preprints201812.0121.v1
Subject:
Physical Sciences,
Atomic And Molecular Physics
Keywords:
one-center method, molecular orbital, higher harmonics, excited state, ionized state, linear molecule, hydrogen fluoride, lithium monofluoride, boron monofluoride
Online: 11 December 2018 (09:37:53 CET)
ARTICLE
|
doi:10.20944/preprints201811.0574.v1
Subject:
Chemistry And Materials Science,
Medicinal Chemistry
Keywords:
activity cliff; activity landscape plotter; epigenetics; docking; drug discovery; D-tools; molecular dynamics; Epi-polypharmacology; SmART; structure-activity relationships
Online: 26 November 2018 (07:14:05 CET)
ARTICLE
|
doi:10.20944/preprints201709.0030.v2
Subject:
Physical Sciences,
Condensed Matter Physics
Keywords:
dynamical equation; crystal; period vectors; periodic structure; period dynamics; pressure; stress; many-body interaction; molecular dynamics; periodic boundary conditions
Online: 9 August 2018 (08:36:53 CEST)
ARTICLE
|
doi:10.20944/preprints202408.0268.v1
Subject:
Biology And Life Sciences,
Biochemistry And Molecular Biology
Keywords:
molecular dynamics; solvent exposed surface area; CHARMM36m; proteogenic alpha-amino acids; phi; psi dihedral angle; Ac-Ala-Xaa-Ala-NH2
Online: 6 August 2024 (05:56:38 CEST)
REVIEW
|
doi:10.20944/preprints202404.0917.v1
Subject:
Public Health And Healthcare,
Other
Keywords:
Diabetes mellitus; periodontitis; type 1 diabetes mellitus; molecular mechanisms; cellular mechanisms; oral microbiota; host immune response; oxidative stress; periodontal disease
Online: 15 April 2024 (07:26:10 CEST)
ARTICLE
|
doi:10.20944/preprints202403.0693.v1
Subject:
Biology And Life Sciences,
Cell And Developmental Biology
Keywords:
miR-1; epigenetic regulator; cardiac sinoatrial region; molecular mechanisms; HDAC4; Calmodulin; pErk2/MAPK1; Mef2c activity; retinoic acid signaling; cardiac development
Online: 12 March 2024 (10:22:13 CET)
REVIEW
|
doi:10.20944/preprints202403.0081.v1
Subject:
Medicine And Pharmacology,
Medicine And Pharmacology
Keywords:
Arbidol; Toremifene; Entry Inhibitor; Fusion Inhibitor; Spike-dependent; SARS CoV-2; S2 segment; S2 subunit; Surface Plasmon Resonance; Molecular Docking
Online: 4 March 2024 (09:35:27 CET)
ARTICLE
|
doi:10.20944/preprints202312.1146.v1
Subject:
Medicine And Pharmacology,
Oncology And Oncogenics
Keywords:
glial brain tumor; astrocytoma; fluorescence guided surgery; infrared dye; tumor imaging in vivo; DNA-aptamers; aptamer spatial structure; molecular modeling
Online: 15 December 2023 (06:01:00 CET)
REVIEW
|
doi:10.20944/preprints202312.0387.v1
Subject:
Chemistry And Materials Science,
Medicinal Chemistry
Keywords:
big data; not-so-big data; molecular design; drug design; machine learning; artificial intelligence; descriptor; computer-generated descriptors; property; regression
Online: 6 December 2023 (10:19:02 CET)
ARTICLE
|
doi:10.20944/preprints202312.0035.v1
Subject:
Medicine And Pharmacology,
Oncology And Oncogenics
Keywords:
Adolescents and young adults (AYA) cancer; molecular profiling; precision oncology; genomics; whole genome sequencing; next-generation sequencing; sarcoma; diagnostic biomarkers
Online: 1 December 2023 (08:09:28 CET)
ARTICLE
|
doi:10.20944/preprints202311.0594.v1
Subject:
Chemistry And Materials Science,
Materials Science And Technology
Keywords:
Self-reinforced composite (SRC); Ultra-high Molecular Weight Polyethylene (UHMWPE); in situ heating; nanostructure; SAXS-WAXS; Shape Memory Effect (SME)
Online: 9 November 2023 (07:44:07 CET)
REVIEW
|
doi:10.20944/preprints202308.1673.v1
Subject:
Biology And Life Sciences,
Parasitology
Keywords:
Non-ulcerated cutaneous leishmaniasis; visceral leishmaniasis; biological, epidemiological, clinical-immunological, and molecular taxonomic analysis; Leishmania (Leishmania) poncei; Honduras; Central America
Online: 24 August 2023 (03:43:47 CEST)
ARTICLE
|
doi:10.20944/preprints202307.0483.v1
Subject:
Chemistry And Materials Science,
Theoretical Chemistry
Keywords:
(Hyper)polarizability; Density Functional Theory; Molecular Switches; Photochromism; Two-Photon absorption; Dithienylethene; bis(ethylene-1,2-dithiolato; Excited-state Energy Transfer
Online: 7 July 2023 (10:49:58 CEST)
REVIEW
|
doi:10.20944/preprints202306.1487.v1
Subject:
Medicine And Pharmacology,
Pathology And Pathobiology
Keywords:
cell-free nucleic acids; cell-free DNA; circular DNA; microvescicles; inflammatory bowel disease; cGAS-STING; TLR9; oligonucleotides; bioinformatics; molecular therapies.
Online: 21 June 2023 (08:55:03 CEST)
REVIEW
|
doi:10.20944/preprints202208.0065.v1
Subject:
Biology And Life Sciences,
Biology And Biotechnology
Keywords:
EPR spectroscopy; double electron electron resonance; FRET; ensemble model; intrinsic disorder; structural biology; site-directed spin labelling; molecular force fields
Online: 2 August 2022 (11:21:32 CEST)
ARTICLE
|
doi:10.20944/preprints202108.0377.v1
Subject:
Physical Sciences,
Condensed Matter Physics
Keywords:
Spin crossover; Fe(II); activation barriers; X-ray excitation; magnetic field effects; [Fe{H2B(pz)2}2(bipy)]; molecular multiferroic.
Online: 18 August 2021 (11:30:12 CEST)
ARTICLE
|
doi:10.20944/preprints202107.0295.v1
Subject:
Biology And Life Sciences,
Biochemistry And Molecular Biology
Keywords:
SARS-CoV-2 spike protein; ACE2 host receptor; nanobodies; molecular dynamics; mutational sensitivity; binding free energy; allosteric interactions; signal transmission
Online: 13 July 2021 (11:18:02 CEST)
ARTICLE
|
doi:10.20944/preprints201906.0134.v1
Subject:
Physical Sciences,
Fluids And Plasmas Physics
Keywords:
atomic and molecular spectroscopy; time-resolved spectroscopy; laser plasma; laser-induced optical breakdown; stellar astrophysics spectra; white dwarf stars; hydrogen
Online: 14 June 2019 (15:01:44 CEST)
ARTICLE
|
doi:10.20944/preprints201812.0173.v2
Subject:
Chemistry And Materials Science,
Organic Chemistry
Keywords:
2-(Adamantan-1-yl)-2H-isoindole-1-carbonitrile; X-ray diffraction; DFT; molecular orbital calculations; fluorescence; docking; nNOS; fluorescent ligand
Online: 14 December 2018 (11:41:20 CET)
REVIEW
|
doi:10.20944/preprints201810.0204.v2
Subject:
Biology And Life Sciences,
Biology And Biotechnology
Keywords:
DNA origami; aptamer; DNA nanotechnology; protein nano array; biosensor; logic gate; enzyme cascade; drug delivery system; targeted therapy; molecular robotics
Online: 22 October 2018 (10:57:21 CEST)
ARTICLE
|
doi:10.20944/preprints202407.0097.v1
Subject:
Medicine And Pharmacology,
Pathology And Pathobiology
Keywords:
advanced glycation end products (AGEs); metabolic dysfunction; protein relation structure-function; spectroscopic analysis; conformational changes; catalytic aging; molecular wear; enzymatic rescue
Online: 2 July 2024 (02:28:47 CEST)
Subject:
Biology And Life Sciences,
Life Sciences
Keywords:
life; gene; species; molecular biology; evolution; natural selection; pregnancy; origins; common ancestry; maturation; relativity; time; religion; eastern orthodox christianity; philosophy; free will; material; immaterial
Online: 2 July 2024 (13:32:24 CEST)
ARTICLE
|
doi:10.20944/preprints202404.0469.v1
Subject:
Biology And Life Sciences,
Biophysics
Keywords:
Alzheimer’ s disease; amyloid β peptide; human serum albumin; low-molecular-weight ligand; protein-ligand interaction; surface plasmon resonance spectroscopy
Online: 7 April 2024 (10:18:10 CEST)
REVIEW
|
doi:10.20944/preprints202305.0472.v1
Subject:
Public Health And Healthcare,
Health Policy And Services
Keywords:
diagnostic molecular pathology; genetic testing; diagnostic services; technology assess- ment; biomedical; genetic services; financial support; clinical governance; health technology; healthcare innovation
Online: 8 May 2023 (08:36:59 CEST)
ARTICLE
|
doi:10.20944/preprints202304.0722.v1
Subject:
Computer Science And Mathematics,
Analysis
Keywords:
Herz-type Besov-Morrey spaces; Herz-type Triebel-Lizorkin-Morrey spaces; ball mean of differences; atomic and molecular decomposition; wavelet decomposition
Online: 21 April 2023 (10:43:57 CEST)
ARTICLE
|
doi:10.20944/preprints202209.0167.v1
Subject:
Physical Sciences,
Atomic And Molecular Physics
Keywords:
molecular spectroscopy; diatomic molecules; optical emission spectroscopy; laser induced optical breakdown; hydroxyl; nitrogen second positive; cynaide; atomic spectroscopy; plasma physics; astrophysics
Online: 13 September 2022 (09:59:03 CEST)
COMMUNICATION
|
doi:10.20944/preprints202101.0065.v1
Subject:
Biology And Life Sciences,
Biochemistry And Molecular Biology
Keywords:
COVID-19; Angiotensin Converting Enzyme 2 (ACE2); Adverse outcome pathway(AOP); Molecular initiation Event (MIE); Key event (KE); Adverse Outcome (AO)
Online: 4 January 2021 (16:37:08 CET)
ARTICLE
|
doi:10.20944/preprints201811.0057.v1
Subject:
Physical Sciences,
Atomic And Molecular Physics
Keywords:
precision measurements; fundamental constants; variation of constants; proton-to-electron mass ratio; molecular ions; forbidden transition; two-photon transition; vibrational overtone
Online: 2 November 2018 (12:58:06 CET)
ARTICLE
|
doi:10.20944/preprints201703.0232.v1
Subject:
Biology And Life Sciences,
Virology
Keywords:
Filamentous phage; M13; gp1; Zonula occludens toxin (Zot); phage assembly; assembly 27 complex; ATPase; membrane protein; molecular hinge; secretion; Walker motifs
Online: 31 March 2017 (11:13:40 CEST)
ARTICLE
|
doi:10.20944/preprints201608.0198.v1
Subject:
Chemistry And Materials Science,
Theoretical Chemistry
Keywords:
huperzine A-AChE; molecular docking; intermolecular interaction; quantum chemical calculation; charge density distribution; atomic charges; dipole moment; electrostatic potential; toxicity analysis
Online: 23 August 2016 (12:33:27 CEST)
ARTICLE
|
doi:10.20944/preprints202403.0096.v1
Subject:
Medicine And Pharmacology,
Medicine And Pharmacology
Keywords:
Clofazimine; Arbidol; Toremifene; Fusion Inhibitor; Spike-dependent; SARS-CoV-2, S2 segment; S2 subunit; Nsp13 helicase; Surface Plasmon Resonance; Molecular Docking; CHARMM
Online: 4 March 2024 (10:43:07 CET)
ARTICLE
|
doi:10.20944/preprints202306.0990.v1
Subject:
Chemistry And Materials Science,
Inorganic And Nuclear Chemistry
Keywords:
Copper(II); thiodiacetate chelate; synthetic adenine nucleoside; molecular and crystal structure; chelate-nucleoside recognition; water-mediated interligand interactions, physical properties; DFT calculations.
Online: 14 June 2023 (05:32:53 CEST)
ARTICLE
|
doi:10.20944/preprints202102.0397.v1
Subject:
Chemistry And Materials Science,
Analytical Chemistry
Keywords:
pyrazolopyrimidinone; hydrazide-hydrazone; antitumor lead compound; cytotoxic activity; antiproliferative activity; molecular docking; epidermal growth factor receptor; G-quadruplex DNA; KRAS; circular dichroism
Online: 17 February 2021 (14:05:44 CET)
REVIEW
|
doi:10.20944/preprints202407.2158.v2
Subject:
Biology And Life Sciences,
Immunology And Microbiology
Keywords:
immune system; natural immunity; adaptive immunity; interferon system; plasmacytoid dendritic cells; lymphocytes; viruses; bacteria; fungi; DNA; RNA; evolution; molecular self camouflaging; innovation; vaccines
Online: 2 August 2024 (11:36:10 CEST)
ARTICLE
|
doi:10.20944/preprints202407.1301.v1
Subject:
Physical Sciences,
Thermodynamics
Keywords:
homogeneous bubble nucleation; cavitation; classical nucleation theory (CNT); nucleation free energy; critical nucleus; molecular dynamics (MD) simulation; Jarzynski equality; stochastic thermodynamics; surface tension
Online: 16 July 2024 (08:56:59 CEST)
ARTICLE
|
doi:10.20944/preprints202407.0786.v1
Subject:
Chemistry And Materials Science,
Physical Chemistry
Keywords:
Monte Carlo; Athermal Mixture; Crystallization; Entropy-driven Phase Transition; Colloids; Polymer; Face Centered Cubic; Hexagonal Close Packed, Molecular Simulation; Dense Packing; Hard Sphere
Online: 10 July 2024 (04:15:20 CEST)
ARTICLE
|
doi:10.20944/preprints202405.1831.v1
Subject:
Medicine And Pharmacology,
Pharmacology And Toxicology
Keywords:
Lippia adoensis; Plasmodium falciparum; Leishmania donovani; Trypanosoma brucei; molecular networking; LC-MS analysis
Online: 28 May 2024 (11:28:34 CEST)
ARTICLE
|
doi:10.20944/preprints202401.0219.v1
Subject:
Medicine And Pharmacology,
Epidemiology And Infectious Diseases
Keywords:
CRE; ESBL; extended spectrum beta lactamase; non-carbapenemase-producing; ertapenem-resistant; meropenem-susceptible; porin loss; outer-membrane protein; mobile genetic elements; molecular epidemiology
Online: 3 January 2024 (09:43:24 CET)
ARTICLE
|
doi:10.20944/preprints202311.0480.v1
Subject:
Medicine And Pharmacology,
Medicine And Pharmacology
Keywords:
Alzheimer's disease (AD); 4-amino-2,3-polymethylenequinolines; butylated hydroxytoluene (BHT); acetylcholinesterase (AChE); butyrylcholinesterase (BChE); antioxidants; ADMET; β-amyloid; molecular docking; quantum-chemical calculations
Online: 7 November 2023 (15:47:06 CET)
ARTICLE
|
doi:10.20944/preprints202207.0058.v1
Subject:
Biology And Life Sciences,
Biophysics
Keywords:
human interferon gamma; human interferon gamma receptor; receptor binding; heparan sulfate; co-receptor; molecular dynamics simulations; sodium chlorate; kynurenine antiproliferative assays; hIFNγ signalling
Online: 5 July 2022 (04:43:05 CEST)