REVIEW
Subject:
Biology And Life Sciences,
Biochemistry And Molecular Biology
Keywords:
molecular graphics; protein visualization; software tools; virtual reality
Online: 12 January 2020 (16:26:54 CET)
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/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/preprints202106.0276.v1
Subject:
Medicine And Pharmacology,
Immunology And Allergy
Keywords:
left ventricular noncompaction; cardiomyopathy; heart failure; arrhythmia; conduction disturbances; molecular etiology; children
Online: 10 June 2021 (08:06:33 CEST)
REVIEW
|
doi:10.20944/preprints202311.0852.v1
Subject:
Computer Science And Mathematics,
Artificial Intelligence And Machine Learning
Keywords:
Computer-Aided Drug Design (CADD); Machine Learning and Artificial Intelligence (AI); Drug discovery; Chemoinformatics; Molecular modeling; Molecular Docking; Target identification
Online: 14 November 2023 (16:54:42 CET)
ARTICLE
Subject:
Chemistry And Materials Science,
Food Chemistry
Keywords:
pomegranate tannins; ellagic acid; molecular modelling; α2-adrenoreceptors; α2-ARs; molecular dynamic simulations; antioxidant; natural compounds; antidepressant activity; food chemistry
Online: 1 October 2021 (14:27:20 CEST)
ARTICLE
|
doi:10.20944/preprints202211.0286.v1
Subject:
Biology And Life Sciences,
Virology
Keywords:
Hepatitis E virus; Paslahepevirus balayani; seroprevalence; molecular epidemiology; zoonosis; disease outbreaks
Online: 15 November 2022 (10:28:45 CET)
ARTICLE
|
doi:10.20944/preprints201807.0324.v1
Subject:
Physical Sciences,
Fluids And Plasmas Physics
Keywords:
laser-induced plasma; atomic and molecular spectroscopy; Abel inversion; hydrogen; cyanogen
Online: 18 July 2018 (09:31:11 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/preprints201905.0081.v1
Subject:
Chemistry And Materials Science,
Nanotechnology
Keywords:
InAlAs; molecular beam epitaxy; surface morphology, quantum cascade lasers, X-ray spectroscopy
Online: 7 May 2019 (11:35:42 CEST)
ARTICLE
|
doi:10.20944/preprints202309.1298.v1
Subject:
Biology And Life Sciences,
Animal Science, Veterinary Science And Zoology
Keywords:
antibiotic resistance; Chiroptera; Staphylococcus aureus; microbiota; molecular identification; risk factors; bacteria
Online: 20 September 2023 (04:52:53 CEST)
ARTICLE
|
doi:10.20944/preprints201907.0085.v1
Subject:
Biology And Life Sciences,
Biochemistry And Molecular Biology
Keywords:
molecular dynamics; matrix metalloproteinase; domain movement; zinc binding protein; calcium binding protein
Online: 4 July 2019 (18:07:55 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)
ARTICLE
|
doi:10.20944/preprints201803.0265.v1
Subject:
Chemistry And Materials Science,
Surfaces, Coatings And Films
Keywords:
lubricant additives; boundary lubrication; ab initio molecular dynamics; tribochemistry; organophosphorus additives
Online: 30 March 2018 (09:57:07 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/preprints202212.0008.v1
Subject:
Biology And Life Sciences,
Virology
Keywords:
COVID-19; molecular docking; ADMET; marine natural products; Chrysophaentin A; Hymenidin
Online: 1 December 2022 (03:51:30 CET)
ARTICLE
|
doi:10.20944/preprints202305.1428.v1
Subject:
Chemistry And Materials Science,
Biomaterials
Keywords:
Angiotensin converting enzyme II; Polystyrene; Molecular dynamics simulation; Adsorption behaviors; Biochips
Online: 19 May 2023 (10:20:13 CEST)
REVIEW
|
doi:10.20944/preprints202003.0103.v2
Subject:
Medicine And Pharmacology,
Epidemiology And Infectious Diseases
Keywords:
Coronavirus; SARS-CoV; MERS-CoV; serology; molecular diagnosis; reservoir; public health
Online: 19 May 2020 (04:13:19 CEST)
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/preprints202308.1075.v1
Subject:
Biology And Life Sciences,
Biology And Biotechnology
Keywords:
Nocardiopsis dassonvillei SOD(B)ST2SA2; Antibacterial activity; Molecular docking; Listeria monocytogenes
Online: 15 August 2023 (11:45:23 CEST)
ARTICLE
Subject:
Physical Sciences,
Condensed Matter Physics
Keywords:
mechanical properties; graphene; hexagonal boron nitride; van der Waalsheterostructures; molecular dynamics
Online: 8 April 2019 (11:45:10 CEST)
REVIEW
|
doi:10.20944/preprints202306.1714.v1
Subject:
Chemistry And Materials Science,
Materials Science And Technology
Keywords:
Charge transfer; Interparticle boundary; Metastable states; Molecular dispersion; Auto-liquefaction; Nanoglassy states:
Online: 25 June 2023 (05:02:22 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)
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)
ARTICLE
|
doi:10.20944/preprints202212.0530.v1
Subject:
Physical Sciences,
Atomic And Molecular Physics
Keywords:
generalized relativistic pseudopotentials; molecular integrals; Gaussian basis functions; relativistic coupled cluster theory; excited states; heavy-element compounds; high-precision electronic structure modeling; thorium oxide; uranium dioxide.
Online: 28 December 2022 (07:57:51 CET)
ARTICLE
|
doi:10.20944/preprints201911.0071.v1
Subject:
Chemistry And Materials Science,
Medicinal Chemistry
Keywords:
NMDAR; amantadine; dansyl; fluorescent ligand; energy minima; molecular modelling; fluorescent bioassay
Online: 7 November 2019 (04:17:07 CET)
REVIEW
|
doi:10.20944/preprints202305.1229.v1
Subject:
Medicine And Pharmacology,
Neuroscience And Neurology
Keywords:
Molecular Genetics; Neurodegenerative Disease; Molecular pathology; Epigenetics; Gene expression; Therapeutic targets; Biomarkers; Alzheimer’s Disease; Parkinson’s Disease; Huntington Disease; Amyotrphic Lateral Sclerosis
Online: 17 May 2023 (10:28:26 CEST)
ARTICLE
|
doi:10.20944/preprints202404.0117.v1
Subject:
Chemistry And Materials Science,
Polymers And Plastics
Keywords:
polyethylene thermal degradation; crystallinity; branched chain; molecular dynamics simulations; density functional theory calculation
Online: 1 April 2024 (15:37:49 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)
ARTICLE
Subject:
Biology And Life Sciences,
Biochemistry And Molecular Biology
Keywords:
Kinase Inhibitor; NEK2; Chemoresistance; Avicennia marina; Marine compounds; Molecular docking; Cancer
Online: 7 June 2020 (11:16:35 CEST)
ARTICLE
|
doi:10.20944/preprints202112.0266.v1
Subject:
Chemistry And Materials Science,
Nanotechnology
Keywords:
Density Functional Theory; Molecular Dynamics; Umbrella Sampling; Brownian Dynamics; Multiscale; Nanoparticle; Aggregation; Clustering
Online: 16 December 2021 (10:51:29 CET)
ARTICLE
|
doi:10.20944/preprints202308.1606.v1
Subject:
Chemistry And Materials Science,
Surfaces, Coatings And Films
Keywords:
molecular dynamic simulation; interplane distance; graphene; surface relaxation; surface reconstruction; packing density
Online: 23 August 2023 (04:40:21 CEST)
REVIEW
|
doi:10.20944/preprints202105.0240.v1
Subject:
Biology And Life Sciences,
Biochemistry And Molecular Biology
Keywords:
LPI, lncRNA, ncRNA, protein, transcriptomics, molecular docking, machine learning, deep learning, databases
Online: 11 May 2021 (10:54:27 CEST)
ARTICLE
|
doi:10.20944/preprints201808.0323.v1
Subject:
Chemistry And Materials Science,
Nanotechnology
Keywords:
bimetallic nanoparticles; electron microscopy; molecular dynamics simulation; Gupta potential; PdPt alloys; nanostructures
Online: 18 August 2018 (05:59:06 CEST)
ARTICLE
|
doi:10.20944/preprints202105.0307.v1
Subject:
Biology And Life Sciences,
Biochemistry And Molecular Biology
Keywords:
Clonorchis sinensis; cathepsin D; aspartic peptidase; molecular dynamics simulation; pH effect; flap dynamics
Online: 13 May 2021 (14:03:32 CEST)
COMMUNICATION
|
doi:10.20944/preprints202106.0238.v1
Subject:
Biology And Life Sciences,
Anatomy And Physiology
Keywords:
Immunoinformatics; Molecular dynamics simulation; mutation; SARS-CoV-2; Spike protein; Virus structure
Online: 8 June 2021 (13:57:03 CEST)
ARTICLE
|
doi:10.20944/preprints202008.0200.v1
Subject:
Chemistry And Materials Science,
Metals, Alloys And Metallurgy
Keywords:
oxide glasses; strength; ductility; work hardening ability; nanoscale heterogeneities; molecular dynamics simulations
Online: 8 August 2020 (03:15:33 CEST)
ARTICLE
|
doi:10.20944/preprints201807.0212.v1
Subject:
Physical Sciences,
Atomic And Molecular Physics
Keywords:
time variation of constants; proton-electron mass ratio; molecular ion; laser cooling
Online: 12 July 2018 (08:04:03 CEST)
ARTICLE
|
doi:10.20944/preprints201805.0403.v1
Subject:
Chemistry And Materials Science,
Analytical Chemistry
Keywords:
eccentric-connectivity index; augmented eccentric-connectivity index; molecular graph; phosphorus containing dendrimers
Online: 28 May 2018 (12:40:03 CEST)
ARTICLE
|
doi:10.20944/preprints202003.0242.v1
Subject:
Biology And Life Sciences,
Virology
Keywords:
COVID-19; SARS-CoV-2; spike protein; multiepitope vaccine; molecular modeling
Online: 15 March 2020 (12:45:54 CET)
REVIEW
|
doi:10.20944/preprints201907.0134.v2
Subject:
Biology And Life Sciences,
Immunology And Microbiology
Keywords:
lymphocytic choriomeningitis virus (LCMV); viral infection; autoimmunity; molecular mimicry; bystander activation; immune tolerance
Online: 3 October 2019 (13:51:08 CEST)
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/preprints202310.0895.v1
Subject:
Engineering,
Other
Keywords:
α-chitin; chitosan; biocomposite; nanoscale mechanical properties; molecular dynamics; uniaxial tensile loading
Online: 13 October 2023 (11:20:07 CEST)
ARTICLE
|
doi:10.20944/preprints202304.0012.v1
Subject:
Physical Sciences,
Chemical Physics
Keywords:
Molecular Dynamics; SARS-CoV-2 variants of concern; 3CLpro; viral load
Online: 3 April 2023 (07:25:07 CEST)
ARTICLE
|
doi:10.20944/preprints202306.1803.v1
Subject:
Medicine And Pharmacology,
Oncology And Oncogenics
Keywords:
galectin; breast neoplasm; molecular subtype; oncotype; galectin-1; galectin-3; galectin-9
Online: 26 June 2023 (11:23:21 CEST)
COMMUNICATION
|
doi:10.20944/preprints202112.0270.v1
Subject:
Biology And Life Sciences,
Virology
Keywords:
Dengue; Dengue virus; cosmopolitan genotype; Senegal; Mauritania; Molecular characterization; Full genome sequencing
Online: 16 December 2021 (12:06:07 CET)
ARTICLE
|
doi:10.20944/preprints202003.0433.v1
Subject:
Biology And Life Sciences,
Virology
Keywords:
adjuvant; COVID-19; immunogenic epitopes; peptide vaccine; subunit vaccine; molecular dynamics simulation
Online: 29 March 2020 (11:14:42 CEST)
ARTICLE
|
doi:10.20944/preprints201807.0427.v1
Subject:
Chemistry And Materials Science,
Medicinal Chemistry
Keywords:
Pharmacophore; 3D-QSAR; virtual screening; D3R selective antagonist; molecular docking; CNS-like
Online: 23 July 2018 (14:09:10 CEST)
ARTICLE
|
doi:10.20944/preprints202011.0292.v1
Subject:
Biology And Life Sciences,
Biochemistry And Molecular Biology
Keywords:
Alzheimer's disease; BACE1; Molecular dynamics; MM/GBSA; Inhibitors; Drug likeness; Ligand efficiency, Kd.
Online: 10 November 2020 (09:10:50 CET)
REVIEW
|
doi:10.20944/preprints202308.0768.v1
Subject:
Medicine And Pharmacology,
Endocrinology And Metabolism
Keywords:
adipose tissue; adipocytokines; overweight; obesity; molecular mechanism; treatments; myocyotokines
Online: 10 August 2023 (05:04:41 CEST)
ARTICLE
|
doi:10.20944/preprints202308.0177.v1
Subject:
Chemistry And Materials Science,
Polymers And Plastics
Keywords:
fentanyl, benzylfentanyl; molecularly imprinted polymer (MIP); narcotics; molecular recognition
Online: 2 August 2023 (09:53:58 CEST)
ARTICLE
|
doi:10.20944/preprints202109.0178.v1
Subject:
Chemistry And Materials Science,
Surfaces, Coatings And Films
Keywords:
molecular dynamics; functional particles; jamming; shear thickening; viscosity; diffusivity
Online: 9 September 2021 (11:45:32 CEST)
ARTICLE
|
doi:10.20944/preprints202012.0770.v2
Subject:
Biology And Life Sciences,
Biochemistry And Molecular Biology
Keywords:
BRF2; cancer; molecular dynamics simulation; drug repurposing; drug discovery
Online: 16 July 2021 (11:40:34 CEST)
ARTICLE
|
doi:10.20944/preprints202006.0015.v1
Subject:
Biology And Life Sciences,
Animal Science, Veterinary Science And Zoology
Keywords:
Bovine tuberculosis; molecular epidemiology; spatial; badgers; MLVA; Northern Ireland
Online: 3 June 2020 (09:38:28 CEST)
ARTICLE
|
doi:10.20944/preprints201912.0212.v1
Subject:
Chemistry And Materials Science,
Nanotechnology
Keywords:
molecular doping; perovskite solar cell; stability; hysteresis; F4-TCNQ
Online: 16 December 2019 (07:27:35 CET)
ARTICLE
Subject:
Chemistry And Materials Science,
Organic Chemistry
Keywords:
secondary metabolites; microbial diversity; metabolomics; molecular network; marine bacteria
Online: 19 October 2019 (02:01:18 CEST)
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)
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/preprints202310.1311.v1
Subject:
Chemistry And Materials Science,
Polymers And Plastics
Keywords:
two-dimensional materials; cotton fabric; phenolic resin; friction and wear; molecular dynamics
Online: 20 October 2023 (08:09:09 CEST)
ARTICLE
|
doi:10.20944/preprints202308.1958.v1
Subject:
Chemistry And Materials Science,
Materials Science And Technology
Keywords:
GaN nanowires; ZrN buffer layers; molecular beam epitaxy; nanowire orientation; geometrical selection
Online: 30 August 2023 (04:11:04 CEST)
ARTICLE
|
doi:10.20944/preprints202304.1067.v1
Subject:
Biology And Life Sciences,
Life Sciences
Keywords:
Progressive Multifocal Encephalopathy (PML); JC Polyomavirus; VP1 protein; Immunoinformatics; molecular dynamics simulation
Online: 27 April 2023 (10:02:21 CEST)
ARTICLE
|
doi:10.20944/preprints202010.0351.v1
Subject:
Biology And Life Sciences,
Biochemistry And Molecular Biology
Keywords:
Streptococcus mutans; adhesion proteins; Antigen I/II; Structure-based virtual screening; molecular dynamics
Online: 16 October 2020 (13:48:43 CEST)
REVIEW
|
doi:10.20944/preprints202401.2065.v1
Subject:
Medicine And Pharmacology,
Endocrinology And Metabolism
Keywords:
Thyroid cancer; fine needle aspiration; thyroid nodule; molecular cytology; genetic analysis; mutation
Online: 30 January 2024 (04:57:53 CET)
ARTICLE
|
doi:10.20944/preprints202305.0462.v1
Subject:
Biology And Life Sciences,
Insect Science
Keywords:
Andrena camellia; genome; RNASeq; molecular evolution; gene expression; galactose derivatives; NAGA-like
Online: 8 May 2023 (08:08:31 CEST)
ARTICLE
|
doi:10.20944/preprints202101.0173.v1
Subject:
Biology And Life Sciences,
Biochemistry And Molecular Biology
Keywords:
SARS-CoV-2; genetic diversity; molecular surveillance; natural selection; non-synonymous substitution
Online: 11 January 2021 (09:50:55 CET)
ARTICLE
|
doi:10.20944/preprints202007.0149.v1
Subject:
Chemistry And Materials Science,
Materials Science And Technology
Keywords:
organic electronics; organic semiconductors; molecular design; crystal design; π-stacking; charge mobility
Online: 8 July 2020 (11:23:32 CEST)
REVIEW
|
doi:10.20944/preprints202403.0393.v1
Subject:
Biology And Life Sciences,
Biochemistry And Molecular Biology
Keywords:
DNA; Molecular Choreography; Genetic Information; Epigenetic Modifications; CRISPR-Cas9; DNA Replication; Gene Editing
Online: 8 March 2024 (01:54:59 CET)
COMMUNICATION
|
doi:10.20944/preprints202311.1666.v1
Subject:
Medicine And Pharmacology,
Medicine And Pharmacology
Keywords:
HDACs, curcumin; molecular docking
Online: 27 November 2023 (09:08:47 CET)
ARTICLE
|
doi:10.20944/preprints201806.0209.v1
Subject:
Computer Science And Mathematics,
Computational Mathematics
Keywords:
topological index; Bismuth Tri-Iodide; molecular graph; Zagreb index; Randic index; zagreb polynomial
Online: 13 June 2018 (10:46:10 CEST)
COMMUNICATION
|
doi:10.20944/preprints202311.1690.v1
Subject:
Medicine And Pharmacology,
Medicine And Pharmacology
Keywords:
serine/threonine protein kinase; amentoflavone; molecular docking; apoptosis
Online: 27 November 2023 (09:09:47 CET)
ARTICLE
|
doi:10.20944/preprints202007.0221.v1
Subject:
Chemistry And Materials Science,
Food Chemistry
Keywords:
hCA IX and XII; dual inhibitors; molecular modeling studies; in vitro assays
Online: 11 July 2020 (02:30:03 CEST)
ARTICLE
|
doi:10.20944/preprints201808.0214.v1
Subject:
Chemistry And Materials Science,
Analytical Chemistry
Keywords:
immunomagnetic separation (IMS); bacterial pathogen; 3D printing; preconcentration; DNA purification; molecular diagnostics
Online: 12 August 2018 (19:26:04 CEST)
REVIEW
|
doi:10.20944/preprints202408.0930.v1
Subject:
Biology And Life Sciences,
Insect Science
Keywords:
Xyleborus beetles; ambrosia beetles; forest pests; agricultural impact; pest management; biological control; integrated pest management (IPM); molecular genetics; ecological impact; economic impact
Online: 13 August 2024 (14:36:47 CEST)
ARTICLE
|
doi:10.20944/preprints202310.1486.v1
Subject:
Medicine And Pharmacology,
Epidemiology And Infectious Diseases
Keywords:
heparan sulfate; enoxaparin; coronavirus; SARS-CoV-2; ACE2, absorption inhibition; molecular docking
Online: 24 October 2023 (08:12:50 CEST)
ARTICLE
|
doi:10.20944/preprints201901.0062.v1
Subject:
Medicine And Pharmacology,
Pharmacology And Toxicology
Keywords:
small molecule; ligand; receptor; docking; molecular dynamics; DNA repair; inhibition; PCNA; ADME; toxicology
Online: 8 January 2019 (11:10:26 CET)
ARTICLE
|
doi:10.20944/preprints201804.0237.v1
Subject:
Biology And Life Sciences,
Anatomy And Physiology
Keywords:
molecular profile; extracellular matrix; osmotic pressure; depth articular cartilage; spheroidal organoid; cartilage regeneration
Online: 18 April 2018 (08:48:06 CEST)
ARTICLE
|
doi:10.20944/preprints201802.0138.v1
Subject:
Biology And Life Sciences,
Biophysics
Keywords:
molecular dynamics simulation; RNA-binding; rev protein; rev response element (RRE); HIV-virus.
Online: 21 February 2018 (16:57:27 CET)
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/preprints202312.0151.v1
Subject:
Chemistry And Materials Science,
Biomaterials
Keywords:
apricot pectin; NMR spectroscopy; RG-I; HG; RG-II; arabinogalactan; molecular weight; conformation
Online: 4 December 2023 (06:51:18 CET)
ARTICLE
|
doi:10.20944/preprints202011.0618.v1
Subject:
Medicine And Pharmacology,
Immunology And Allergy
Keywords:
Neprilisin; Docking; Molecular Dynamics Simulation; MM-PBSA; Ligand Efficiency Metrics; ADME-Tox
Online: 24 November 2020 (14:21:22 CET)
ARTICLE
|
doi:10.20944/preprints202111.0568.v2
Subject:
Chemistry And Materials Science,
Organic Chemistry
Keywords:
Graptopetalum paraguayense E. Walter; anti-HSV activities; hydroxybenzoic (phenolic) acids; molecular docking; DFT.
Online: 15 December 2021 (10:58:46 CET)
ARTICLE
|
doi:10.20944/preprints202305.2225.v1
Subject:
Chemistry And Materials Science,
Analytical Chemistry
Keywords:
heme; porphyrin; paleontology; fossilization; molecular taphonomy; preservation; mass spectrometry; di-nosaurs; oxidation; hematinic acid
Online: 31 May 2023 (10:43:18 CEST)
ARTICLE
|
doi:10.20944/preprints202210.0398.v1
Subject:
Chemistry And Materials Science,
Organic Chemistry
Keywords:
Perfluorinated derivatives; Nucleophilic Aromatic Substitution; Bioconjugation; IR and 19F-NMR simulations; Molecular Docking
Online: 26 October 2022 (04:01:55 CEST)
ARTICLE
|
doi:10.20944/preprints202104.0026.v1
Subject:
Biology And Life Sciences,
Biochemistry And Molecular Biology
Keywords:
chloramphenicol; alkyl(triphenyl)phosphonium; bacterial ribosome; molecular dynamics simulations; antibiotic activity; antiproliferative activity
Online: 1 April 2021 (14:38:19 CEST)
COMMUNICATION
|
doi:10.20944/preprints202004.0146.v1
Subject:
Biology And Life Sciences,
Biochemistry And Molecular Biology
Keywords:
Coronavirus Disease 2019; SARS-CoV-2; main protease; molecular docking-based virtual screening
Online: 9 April 2020 (09:34:45 CEST)
ARTICLE
|
doi:10.20944/preprints201806.0207.v1
Subject:
Computer Science And Mathematics,
Mathematics
Keywords:
topological index; Bismuth Tri-Iodide; molecular graph; Zagreb index; Randic index; M-polynomial
Online: 13 June 2018 (10:39:15 CEST)
REVIEW
|
doi:10.20944/preprints202109.0324.v1
Subject:
Physical Sciences,
Atomic And Molecular Physics
Keywords:
Foundations of Quantum Mechanics; Molecular Spectroscopy; Diatomic Molecules; Symmetry Transformations; Optical Emission Spectroscopy; Astrophysics
Online: 20 September 2021 (10:45:08 CEST)
ARTICLE
|
doi:10.20944/preprints202211.0356.v1
Subject:
Chemistry And Materials Science,
Medicinal Chemistry
Keywords:
Focal adhesion kinase; 3D-QSAR; Molecular Dynamics; MM-PB/GBSA; Free energy perturbation
Online: 18 November 2022 (10:13:00 CET)
REVIEW
|
doi:10.20944/preprints201808.0089.v1
Subject:
Biology And Life Sciences,
Agricultural Science And Agronomy
Keywords:
firmness; Vaccinium; ripening; cell wall; crispy; quantitative genetics; breeding; molecular markers; genome editing
Online: 5 August 2018 (10:11:33 CEST)
ARTICLE
|
doi:10.20944/preprints201806.0039.v1
Subject:
Engineering,
Bioengineering
Keywords:
Protein A; Heptapeptide; M13 Phage-Display; ELISA; Fc; purification; docking; molecular dynamics simulations
Online: 4 June 2018 (12:03:52 CEST)
ARTICLE
|
doi:10.20944/preprints202003.0349.v1
Subject:
Biology And Life Sciences,
Biology And Biotechnology
Keywords:
novel coronavirus; COVID-19; protease; molecular docking; drug designing; ADME; drug repurposing
Online: 23 March 2020 (09:47:49 CET)
REVIEW
|
doi:10.20944/preprints202306.1276.v1
Subject:
Chemistry And Materials Science,
Inorganic And Nuclear Chemistry
Keywords:
Molecular magnetism; single-molecule magnets; carbon nanotubes; single-molecule magnets-carbon nanotubes hybrids.
Online: 19 June 2023 (03:38:58 CEST)
ARTICLE
|
doi:10.20944/preprints202303.0502.v1
Subject:
Medicine And Pharmacology,
Pharmacology And Toxicology
Keywords:
Tuberculosis; Biscoumarins; Ligand molecules; DprE1; Anti-tuberculosis activity; Molecular docking; MD Simulation; Cytotoxicity
Online: 29 March 2023 (04:21:45 CEST)
ARTICLE
|
doi:10.20944/preprints202112.0222.v1
Subject:
Chemistry And Materials Science,
Organic Chemistry
Keywords:
molecular liquid; allyl isomerization; Stille coupling; Ullmann coupling; hydrosilylation; liquid optoelectronics; liquid semiconductor
Online: 14 December 2021 (10:54:36 CET)
ARTICLE
|
doi:10.20944/preprints202311.1148.v1
Subject:
Chemistry And Materials Science,
Applied Chemistry
Keywords:
DES; density; diffusion coefficient; viscosity; ionic conductivity; redox-flow batteries; molecular dynamics simulations
Online: 17 November 2023 (08:09:31 CET)
ARTICLE
|
doi:10.20944/preprints202306.0487.v1
Subject:
Medicine And Pharmacology,
Oncology And Oncogenics
Keywords:
Pediatric embryonal brain tumors, liquid biopsy, cell-free DNA, molecular diagnosis, nucleosome footprinting
Online: 7 June 2023 (05:48:23 CEST)
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/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/preprints202001.0308.v1
Subject:
Chemistry And Materials Science,
Physical Chemistry
Keywords:
Dergaon Meteorite; calibration-free laser-induced breakdown spectroscopy; atomic spectroscopy; molecular spectroscopy; planetary diagnosis
Online: 26 January 2020 (04:39:18 CET)
ARTICLE
|
doi:10.20944/preprints202406.0382.v1
Subject:
Biology And Life Sciences,
Biology And Biotechnology
Keywords:
Vector Dynamics; Molecular Surveillance; Climate Change; Real-Time PCR; Vector-Borne Diseases; Epidemiology
Online: 7 June 2024 (02:48:41 CEST)