ARTICLE
|
doi:10.20944/preprints202212.0220.v1
Subject:
Biology And Life Sciences,
Biochemistry And Molecular Biology
Keywords:
Cytoplasmic male-sterility; High resolution melting (HRM); molecular markers; mitochondrial genes; onion (Allium cepa L.)
Online: 13 December 2022 (02:28:27 CET)
ARTICLE
|
doi:10.20944/preprints202212.0062.v1
Subject:
Computer Science And Mathematics,
Computer Vision And Graphics
Keywords:
graph neural network; motif-based representation; molecular property prediction; graph matching; interpretability; GPU-enabled accelerating.
Online: 5 December 2022 (06:57:41 CET)
ARTICLE
|
doi:10.20944/preprints202207.0033.v1
Subject:
Medicine And Pharmacology,
Oncology And Oncogenics
Keywords:
multiple myeloma; early mortality; blood plasma; circulating miRNA; hematological malignancies; molecular biomarker; multiparametric model; prognosissurvival
Online: 4 July 2022 (05:59:59 CEST)
ARTICLE
|
doi:10.20944/preprints202112.0289.v1
Subject:
Chemistry And Materials Science,
Physical Chemistry
Keywords:
molecular recognition; infrared spectroscopy; Raman spectroscopy; supersonic expansion; chirality induction; hydrogen bond topology; cooperativity; chlorination
Online: 17 December 2021 (14:25:55 CET)
ARTICLE
|
doi:10.20944/preprints202106.0568.v1
Subject:
Chemistry And Materials Science,
Organic Chemistry
Keywords:
intramolecular ionic Diels-Alder reactions; Molecular Electron Density Theory; dieniminiums; superelectrophiles; global electron density transfer
Online: 23 June 2021 (11:10:59 CEST)
ARTICLE
|
doi:10.20944/preprints202105.0348.v1
Subject:
Biology And Life Sciences,
Parasitology
Keywords:
Pistacia atlantica leaves; L. infantum; L. major; promastigote; antileishmanial; Masticadienonic acid, 3-Methoxycarpachromene; molecular docking.
Online: 14 May 2021 (15:36:40 CEST)
ARTICLE
|
doi:10.20944/preprints202101.0473.v1
Subject:
Medicine And Pharmacology,
Immunology And Allergy
Keywords:
molecular methods; virus; pandemic; Coronaviridae; COVID-19, diagnosis; UK variant; B.1.1.7 variant; 501Y.V2 variant
Online: 25 January 2021 (10:32:38 CET)
ARTICLE
Subject:
Chemistry And Materials Science,
Polymers And Plastics
Keywords:
molecular dynamics simulations; gold; nanoparticles; core-shell; grafted; structural and dynamical properties of polymers; polyethylene
Online: 7 December 2020 (09:27:17 CET)
ARTICLE
|
doi:10.20944/preprints202011.0685.v1
Subject:
Biology And Life Sciences,
Anatomy And Physiology
Keywords:
teleost fish; Notothenioidei; genome modifications; IgT; exonic remnant; immunoglobulin domain; Antarctic marine environment; molecular evolution
Online: 27 November 2020 (11:31:09 CET)
REVIEW
|
doi:10.20944/preprints202011.0667.v1
Subject:
Biology And Life Sciences,
Biochemistry And Molecular Biology
Keywords:
Plant breeding; Genome editing; Molecular breeding; Prime editing; Base editing; CRISPR Cas; Epigenetics; Speed breeding
Online: 26 November 2020 (11:17:56 CET)
ARTICLE
|
doi:10.20944/preprints202009.0046.v1
Subject:
Physical Sciences,
Atomic And Molecular Physics
Keywords:
Biofilms; virtual screening; molecular dynamics; natural products; binding energy; trans-Aconitic acid; hit-to-lead
Online: 3 September 2020 (03:53:16 CEST)
REVIEW
|
doi:10.20944/preprints202004.0181.v1
Subject:
Medicine And Pharmacology,
Oncology And Oncogenics
Keywords:
renal cell carcinoma; angiogenesis; immune-checkpoint inhibitor; tumor microenvironment; molecular subtypes; prognostic-biomarkers; predictive factors
Online: 12 April 2020 (04:48:44 CEST)
REVIEW
|
doi:10.20944/preprints201912.0131.v1
Subject:
Biology And Life Sciences,
Biochemistry And Molecular Biology
Keywords:
single nucleotide polymorphism; docking; molecular dynamics; in-silico studies; protein dynamics; missense; prediction algorithm; mutation
Online: 10 December 2019 (07:56:43 CET)
ARTICLE
|
doi:10.20944/preprints201901.0097.v1
Subject:
Chemistry And Materials Science,
Theoretical Chemistry
Keywords:
2-Hydroxypropyl-β-cyclodextrin (HPβCD); Replica exchange molecular dynamics (REMD); Conformational change; Cavity self-closure
Online: 10 January 2019 (11:43:44 CET)
REVIEW
|
doi:10.20944/preprints202403.0467.v2
Subject:
Biology And Life Sciences,
Biochemistry And Molecular Biology
Keywords:
circulating cell-free DNA (ccfDNA); molecular diagnostics; liquid biopsies; cancer biomarkers; genomic sequencing; bioinformatics; personalized medicine
Online: 15 August 2024 (16:34:36 CEST)
REVIEW
|
doi:10.20944/preprints202408.0272.v1
Subject:
Biology And Life Sciences,
Biochemistry And Molecular Biology
Keywords:
Protein Dynamics; Structural Biology; Molecular Dynamics; Allosteric Regulation; Enzyme Catalysis; Artificial Intelligence; Protein Folding; Conformational Changes
Online: 6 August 2024 (04:44:33 CEST)
REVIEW
|
doi:10.20944/preprints202407.1678.v1
Subject:
Biology And Life Sciences,
Agricultural Science And Agronomy
Keywords:
salt and drought stress; physiological and molecular mechanisms; transcription factors; gene editing; multi-omics; smart agriculture
Online: 22 July 2024 (07:08:46 CEST)
ARTICLE
|
doi:10.20944/preprints202407.0023.v1
Subject:
Biology And Life Sciences,
Immunology And Microbiology
Keywords:
Dengue virus; in-silico designing; B cell epitope; T cell Epitopes; pan-serotype vaccine; molecular docking
Online: 1 July 2024 (09:12:15 CEST)
REVIEW
|
doi:10.20944/preprints202407.0048.v1
Subject:
Biology And Life Sciences,
Biochemistry And Molecular Biology
Keywords:
chronic obstructive pulmonary disease; cellular and molecular biology of mitochondria; antioxidants and mitochondrial biogenesis; mitochondrial biomarkers
Online: 1 July 2024 (08:20:27 CEST)
REVIEW
|
doi:10.20944/preprints202405.2016.v1
Subject:
Biology And Life Sciences,
Plant Sciences
Keywords:
salt stress; tolerance; morphological adaptation; photosynthesis; antioxidant defense; osmotic adjustment; proteins; molecular mechanisms
Online: 30 May 2024 (08:33:54 CEST)
REVIEW
|
doi:10.20944/preprints202405.1236.v1
Subject:
Biology And Life Sciences,
Virology
Keywords:
Plant Virus; History; transmission; genome; Detection; biological era; biophysical era; molecular genetics era; viral diagnostics era
Online: 20 May 2024 (12:40:05 CEST)
ARTICLE
|
doi:10.20944/preprints202403.1766.v1
Subject:
Chemistry And Materials Science,
Organic Chemistry
Keywords:
Global electron density transfer; Molecular Electron Density Theory; Polar reactions; Interacting Quantum Atoms; Interacting Quantum Fragments.
Online: 28 March 2024 (14:20:44 CET)
ARTICLE
|
doi:10.20944/preprints202403.0789.v1
Subject:
Biology And Life Sciences,
Animal Science, Veterinary Science And Zoology
Keywords:
Apis mellifera; Carpoglyphus lactis; Cytochrome c oxidase subunit 1 (COI) gene; Molecular identification; Republic of Korea
Online: 13 March 2024 (16:10:18 CET)
ARTICLE
|
doi:10.20944/preprints202403.0474.v1
Subject:
Medicine And Pharmacology,
Obstetrics And Gynaecology
Keywords:
endometrial cancer; deep learning; artificial intelligence; biomarker; mismatch repair; molecular classification; whole slide imaging; digital pathology
Online: 8 March 2024 (09:24:54 CET)
ARTICLE
|
doi:10.20944/preprints202402.0757.v1
Subject:
Biology And Life Sciences,
Biochemistry And Molecular Biology
Keywords:
COVID19; Covid molecular mechanisms; SARS-CoV-2; Liver interactome; Liver proteome during COVID19; viral strategy; Ribosome.
Online: 13 February 2024 (15:59:01 CET)
ARTICLE
|
doi:10.20944/preprints202402.0625.v1
Subject:
Chemistry And Materials Science,
Physical Chemistry
Keywords:
styryl dyes; aluminophosphates; photoactive hybrid systems; MgAPO; AEL framework; CHA framework; fluorescence; nanochannels; cavities; molecular sieves
Online: 12 February 2024 (09:04:37 CET)
ARTICLE
|
doi:10.20944/preprints202310.1193.v1
Subject:
Chemistry And Materials Science,
Inorganic And Nuclear Chemistry
Keywords:
Racemic α-lipoic acid; zinc; metallcomplex, in silico, DFT calculation; molecular docking simulation; target proteins; diabetes
Online: 19 October 2023 (08:09:26 CEST)
ARTICLE
|
doi:10.20944/preprints202310.0708.v1
Subject:
Public Health And Healthcare,
Other
Keywords:
Candida glabrata; fungal drug resistance; reverse transcriptase polymerase chain reaction; fluconazole; molecular docking simulation; multivariate analysis
Online: 11 October 2023 (12:24:15 CEST)
REVIEW
|
doi:10.20944/preprints202310.0626.v1
Subject:
Medicine And Pharmacology,
Neuroscience And Neurology
Keywords:
aging; accelerated aging; brain aging; neurodegeneration; epigenetics; biological clocks; molecular biomarkers; rejuvenation; structural reserves; functional reserves
Online: 10 October 2023 (10:15:33 CEST)
ARTICLE
|
doi:10.20944/preprints202310.0042.v1
Subject:
Engineering,
Mechanical Engineering
Keywords:
bilayer graphene; in-plane and cross-plane thermal conductivities; non-equilibrium molecular dynamics; anisotropic thermal transport
Online: 2 October 2023 (05:09:39 CEST)
REVIEW
|
doi:10.20944/preprints202309.0163.v1
Subject:
Medicine And Pharmacology,
Medicine And Pharmacology
Keywords:
molecular hydrogen; diabetic kidney disease; mitochondrial dysfunction; oxidative stress; in-flammation; reactive oxygen species; medical application
Online: 4 September 2023 (11:16:33 CEST)
ARTICLE
|
doi:10.20944/preprints202307.0489.v1
Subject:
Medicine And Pharmacology,
Neuroscience And Neurology
Keywords:
molecular mimicry; post-COVID-19 syndrome; SARS-CoV-2; human coronaviruses; autoimmunity; autoantigens of nervous system
Online: 7 July 2023 (10:41:49 CEST)
COMMUNICATION
|
doi:10.20944/preprints202305.0704.v2
Subject:
Chemistry And Materials Science,
Other
Keywords:
protein-protein interaction inhibitor; rule of five; rule of four; QEPPI; molecular generation; virtual chemical library
Online: 30 June 2023 (08:50:24 CEST)
ARTICLE
|
doi:10.20944/preprints202306.1963.v1
Subject:
Medicine And Pharmacology,
Oncology And Oncogenics
Keywords:
Glioblastoma Multiform (GBM); Cancer Stem Cella (CSC); Molecular Dynamics Simulation; In-silico; Phytochemical Screening; FOXM1; ADMET
Online: 28 June 2023 (08:23:27 CEST)
ARTICLE
|
doi:10.20944/preprints202306.1484.v1
Subject:
Biology And Life Sciences,
Ecology, Evolution, Behavior And Systematics
Keywords:
Corbicula fluminea; Nakdong River Estuary; eDNA metabarcoding; biodiversity; molecular diet analysis; next-generation sequencing; 18S V9
Online: 21 June 2023 (05:31:05 CEST)
ARTICLE
|
doi:10.20944/preprints202306.0923.v1
Subject:
Medicine And Pharmacology,
Epidemiology And Infectious Diseases
Keywords:
vascular access infections (VAIs); Staphylococcus aureus; antibiotic resistance; antibiotic resistance genes; multilocus sequence typing; molecular characterization
Online: 13 June 2023 (10:14:42 CEST)
REVIEW
|
doi:10.20944/preprints202306.0803.v1
Subject:
Computer Science And Mathematics,
Artificial Intelligence And Machine Learning
Keywords:
QSAR/QSPR; cheminformatics; small-molecules; AI/ML; molecular descriptors; biological activity; SAR; predictive modeling; computational validation
Online: 12 June 2023 (08:56:18 CEST)
ARTICLE
|
doi:10.20944/preprints202306.0605.v1
Subject:
Chemistry And Materials Science,
Medicinal Chemistry
Keywords:
prostate-specific membrane antigen (PSMA); technetium-99m; single photon emission computed tomography (SPECT); molecular imaging; HYNIC
Online: 8 June 2023 (08:11:15 CEST)
REVIEW
|
doi:10.20944/preprints202306.0468.v1
Subject:
Medicine And Pharmacology,
Oncology And Oncogenics
Keywords:
Endometrial cancer (EC); assisted reproduction techniques (ART); miR-based; molecular evaluation; ethical and legal/regulatory implications
Online: 6 June 2023 (14:54:47 CEST)
REVIEW
|
doi:10.20944/preprints202305.1589.v1
Subject:
Biology And Life Sciences,
Biochemistry And Molecular Biology
Keywords:
argon; hydrogen peroxide; hydrogen sulfide; hydroxyl radicals; molecular hydrogen; nitric oxide; peroxynitrite; protein cavities; superoxide; xenon
Online: 23 May 2023 (07:12:09 CEST)
REVIEW
|
doi:10.20944/preprints202305.0031.v1
Subject:
Medicine And Pharmacology,
Pharmacology And Toxicology
Keywords:
molecular hydrogen; reactive oxygen intermediates; mast cells; secretome; specific mast cell proteases; local tissue microenvironment; inflammation
Online: 1 May 2023 (11:54:37 CEST)
REVIEW
|
doi:10.20944/preprints202302.0312.v1
Subject:
Biology And Life Sciences,
Biology And Biotechnology
Keywords:
Nucleic acid detection; microfluidics; portable devices; molecular diagnostics; isothermal amplification; lab on chip; Nucleic Acid Testing
Online: 17 February 2023 (13:42:33 CET)
ARTICLE
|
doi:10.20944/preprints202212.0299.v1
Subject:
Biology And Life Sciences,
Immunology And Microbiology
Keywords:
Leptospirosis; Multi-epitope vaccine; immuno-informatics; T-cell epitope; B-cell epitope; docking; molecular dynamic simulation
Online: 16 December 2022 (08:15:24 CET)
ARTICLE
|
doi:10.20944/preprints202209.0250.v1
Subject:
Physical Sciences,
Fluids And Plasmas Physics
Keywords:
granular gases; kinetic theory; Enskog--Fokker--Planck equation; direct simulation Monte Carlo; event-driven molecular dynamics
Online: 16 September 2022 (14:12:00 CEST)
ARTICLE
|
doi:10.20944/preprints202207.0110.v1
Subject:
Computer Science And Mathematics,
Applied Mathematics
Keywords:
associative learning; molecular circuits; synthetic biology; mathematical modeling; Hill equation; Pavlov’s dog; reinforcement; dissociation; non-dimensionalization
Online: 7 July 2022 (04:38:20 CEST)
ARTICLE
|
doi:10.20944/preprints202205.0366.v1
Subject:
Physical Sciences,
Condensed Matter Physics
Keywords:
Electron-phonon coupling; Nanoparticle; Ultrathin layer; Nonthermal melting; Tight-binding molecular dynamics; Boltzmann collision integrals; XTANT
Online: 26 May 2022 (10:44:54 CEST)
ARTICLE
|
doi:10.20944/preprints202110.0198.v1
Subject:
Medicine And Pharmacology,
Pharmacology And Toxicology
Keywords:
BRCA1; cancer stem cell; cell cycle; epithelial-mesenchymal transition; DNA damage response; gastric cancer; molecular network
Online: 13 October 2021 (11:06:51 CEST)
ARTICLE
|
doi:10.20944/preprints202107.0462.v1
Subject:
Chemistry And Materials Science,
Analytical Chemistry
Keywords:
London dispersion; ketone complexes; density functional theory; hydrogen bonds; molecular recognition; vibrational spectroscopy; gas phase; benchmark
Online: 20 July 2021 (16:06:47 CEST)
REVIEW
|
doi:10.20944/preprints202106.0609.v1
Subject:
Medicine And Pharmacology,
Immunology And Allergy
Keywords:
Chronic myeloid leukaemia; chronic phase; Tyrosine kinase inhibitor; Treatment free remission; deep molecular response; BCR-ABL.
Online: 25 June 2021 (08:13:40 CEST)
ARTICLE
|
doi:10.20944/preprints202106.0492.v1
Subject:
Medicine And Pharmacology,
Immunology And Allergy
Keywords:
low-molecular-weight fucoidan; colorectal cancer; HCT116 cell; Caco-2 cell; fluoropyrimidine-based chemotherapy; complementary therapy
Online: 21 June 2021 (08:55:12 CEST)
ARTICLE
|
doi:10.20944/preprints202105.0784.v1
Subject:
Chemistry And Materials Science,
Analytical Chemistry
Keywords:
Quinoline; Isoquinoline; G-Quadruplex ligands; k-RAS; c-MYC; telomere; SAR; pyri-dine-dicarboxamide; molecular dynamics
Online: 31 May 2021 (14:03:28 CEST)
ARTICLE
|
doi:10.20944/preprints202105.0672.v1
Subject:
Chemistry And Materials Science,
Organic Chemistry
Keywords:
ionic Diels-Alder reactions; Molecular Electron Density Theory; iminium cations; superelectrophiles; global electron density transfer, asynchronicity.
Online: 27 May 2021 (13:56:43 CEST)
ARTICLE
|
doi:10.20944/preprints202105.0421.v1
Subject:
Chemistry And Materials Science,
Analytical Chemistry
Keywords:
[3+2] cycloaddition reactions; bent and linear three-atom-components; reactivity; regioselectivity; molecular electron density theory
Online: 18 May 2021 (11:19:57 CEST)
REVIEW
|
doi:10.20944/preprints202101.0337.v1
Subject:
Biology And Life Sciences,
Biochemistry And Molecular Biology
Keywords:
Diffuse intrinsic pontine glioma; molecular biology; patient derived xenografts; genetically engineered mouse model; humanized mouse model
Online: 18 January 2021 (12:50:14 CET)
CASE REPORT
|
doi:10.20944/preprints202012.0548.v1
Subject:
Medicine And Pharmacology,
Immunology And Allergy
Keywords:
next-generation sequencing; hereditary breast cancer; Homologous Recombination Repair; hereditary cancer syndrome; Clinical genomics; Molecular diagnostics
Online: 22 December 2020 (10:17:48 CET)
ARTICLE
|
doi:10.20944/preprints202011.0047.v1
Subject:
Chemistry And Materials Science,
Analytical Chemistry
Keywords:
Photodynamic Therapy; Charge Transfer; Electronically Excited States; Anthraquinone; DNA; Molecular Dynamics; TD-DFT; Transition-Density Analysis
Online: 2 November 2020 (14:15:09 CET)
REVIEW
|
doi:10.20944/preprints202008.0642.v1
Subject:
Biology And Life Sciences,
Plant Sciences
Keywords:
gene ontology; molecular function; cellular localization; biological function; circadian clock; flowering time; flower development; floral scent
Online: 28 August 2020 (11:42:40 CEST)
REVIEW
|
doi:10.20944/preprints202004.0083.v1
Subject:
Biology And Life Sciences,
Plant Sciences
Keywords:
drought-tolerance characteristics; maize breeding; maize drought tolerance; molecular markers; phenotype; screening of drought-tolerant plants
Online: 7 April 2020 (10:28:30 CEST)
HYPOTHESIS
|
doi:10.20944/preprints202003.0247.v1
Subject:
Medicine And Pharmacology,
Pharmacy
Keywords:
SARS-CoV-2; COVID-19; molecular docking; Chinese medicine; lithospermic acid B; specnuezhenide; neonuezhenide; rutin; neodiosmin
Online: 15 March 2020 (15:11:22 CET)
ARTICLE
|
doi:10.20944/preprints202001.0279.v1
Subject:
Chemistry And Materials Science,
Medicinal Chemistry
Keywords:
NS3 inhibitors; allosteric inhibitors; NS4A; peptidomimetics; imidazole; hepatitis C virus; molecular dynamics; Flaviviridae; DSLS; binding assay
Online: 24 January 2020 (11:11:46 CET)
COMMUNICATION
|
doi:10.20944/preprints201812.0178.v2
Subject:
Biology And Life Sciences,
Ecology, Evolution, Behavior And Systematics
Keywords:
biodiversity; biogeography; competitive exclusion; ecological niche model; molecular taxonomic identification; PCR-RFLP; Reticulitermes; saproxylic; species richness
Online: 17 January 2019 (03:55:36 CET)
ARTICLE
|
doi:10.20944/preprints201811.0250.v1
Subject:
Physical Sciences,
Mathematical Physics
Keywords:
High-Throughput Molecular Dynamics (HTMD) simulations; Nosé-Hoover Chain (NHC); Canonical ensemble; Graphics Processing Units (GPUs).
Online: 9 November 2018 (15:26:49 CET)
REVIEW
|
doi:10.20944/preprints201804.0009.v1
Subject:
Biology And Life Sciences,
Animal Science, Veterinary Science And Zoology
Keywords:
feline immunodeficiency virus; FIV; human immunodeficiency virus; HIV; animal models, opportunistic disease, lentiviral pathogenesis; molecular biology
Online: 2 April 2018 (07:54:28 CEST)
ARTICLE
|
doi:10.20944/preprints201803.0003.v1
Subject:
Chemistry And Materials Science,
Medicinal Chemistry
Keywords:
derivatives of N-phenylanthranilic acids; anti-inflammatory activity; flexible molecular docking; microsomal prostaglandin E synthase-1
Online: 1 March 2018 (04:58:58 CET)
ARTICLE
|
doi:10.20944/preprints202407.0624.v1
Subject:
Chemistry And Materials Science,
Physical Chemistry
Keywords:
van der Waals model of liquids; solvation; number density; molecular size; repulsive and attractive interactions
Online: 9 July 2024 (02:48:15 CEST)
REVIEW
|
doi:10.20944/preprints202407.0566.v1
Subject:
Medicine And Pharmacology,
Obstetrics And Gynaecology
Keywords:
Gestational trophoblastic disease; Hydatidiform Mole; Complete molar pregnancy; Partial molar pregnancy; Choriocarcinoma; Molecular basis of molar pregnancy
Online: 8 July 2024 (09:07:13 CEST)
REVIEW
|
doi:10.20944/preprints202407.0286.v1
Subject:
Biology And Life Sciences,
Biochemistry And Molecular Biology
Keywords:
Chronic Obstructive Pulmonary Disease (COPD); Long Non-Coding RNAs (lncRNAs); Molecular Pathogenesis; Inflammation; Lung Cancer; Diagnostic Biomarkers
Online: 3 July 2024 (16:16:47 CEST)
REVIEW
|
doi:10.20944/preprints202406.1275.v1
Subject:
Chemistry And Materials Science,
Materials Science And Technology
Keywords:
amyloid fibrils; nano-electronics; memristors; bio-sensors; actuators; molecular switches; photovoltaics; artificial synapses; functional amyloids; neuromorphic computing.
Online: 20 June 2024 (12:42:58 CEST)
REVIEW
|
doi:10.20944/preprints202403.0061.v1
Subject:
Medicine And Pharmacology,
Clinical Medicine
Keywords:
Atrial Fibrillation; Heart Failure with Preserved Ejection Fraction (HFpEF); Cardiac Amyloidosis; Molecular Imaging; Catheter Ablation; SGLT2 Inhibitors
Online: 1 March 2024 (14:46:58 CET)
ARTICLE
|
doi:10.20944/preprints202402.1010.v1
Subject:
Chemistry And Materials Science,
Metals, Alloys And Metallurgy
Keywords:
Multicomponent alloys; High-entropy alloys; Amorphous alloys; Valence electron concentration; Circular metals; Ab initio molecular dynamics simulations
Online: 19 February 2024 (07:48:57 CET)
ARTICLE
|
doi:10.20944/preprints202312.1302.v1
Subject:
Biology And Life Sciences,
Biochemistry And Molecular Biology
Keywords:
SLC15 family; SLC15A4; PHT1; solid supported membrane electrophysiology (SSME); functional characterization; substrate selectivity; pH dependence; molecular docking
Online: 18 December 2023 (13:29:59 CET)
ARTICLE
|
doi:10.20944/preprints202311.1019.v1
Subject:
Chemistry And Materials Science,
Materials Science And Technology
Keywords:
2,2’ -thiodiacetic acid; 2,6-diaminopurine; N9-(2-hydroxyethyl)adenine; crystal structures; molecular salts; proton transfer prediction
Online: 15 November 2023 (13:52:51 CET)
ARTICLE
|
doi:10.20944/preprints202311.0033.v1
Subject:
Biology And Life Sciences,
Biophysics
Keywords:
water; fullerene C60; icosahedral soft-matter; hydrogen bonds; Fibonacci water chains; nano/micro molecular machinery; cancer; nanomedicine
Online: 1 November 2023 (09:07:20 CET)
CONCEPT PAPER
|
doi:10.20944/preprints202309.1514.v1
Subject:
Physical Sciences,
Optics And Photonics
Keywords:
Photonics; Molecular gates; Localized surface plasmonic resonance (LSPR); porous silica; bio-sensing; microfluidics; respiratory viruses; chemical contaminants
Online: 22 September 2023 (08:28:33 CEST)
BRIEF REPORT
|
doi:10.20944/preprints202309.1217.v1
Subject:
Biology And Life Sciences,
Agricultural Science And Agronomy
Keywords:
Dracaena braunii; Colletotrichum gloeosporioides; internal transcribed spacer (ITS); glyceraldehyde-3-phosphate dehydrogenase (GAPDH); molecular characterization; pathogenicity test
Online: 19 September 2023 (13:29:11 CEST)
ARTICLE
|
doi:10.20944/preprints202309.1250.v1
Subject:
Biology And Life Sciences,
Biochemistry And Molecular Biology
Keywords:
chronology; early evolution; flexibility; intrinsically disordered region; loop prototype; molecular function; protein evolution; protein structure; structural domain
Online: 19 September 2023 (11:22:42 CEST)
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/preprints201812.0214.v1
Subject:
Chemistry And Materials Science,
Medicinal Chemistry
Keywords:
αβ motif; Abu; chlorotoxin; Cys; disulfide bond; insectotoxin; isosteric substitution; L-α-aminobutyric acid; molecular dynamics; Ser
Online: 18 December 2018 (04:46:38 CET)
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)