ARTICLE
|
doi:10.20944/preprints202003.0333.v1
Subject:
Medicine And Pharmacology,
Pathology And Pathobiology
Keywords:
COVID-19; SARS-CoV-2; molecular docking; flavonoids
Online: 23 March 2020 (04:30:47 CET)
ARTICLE
|
doi:10.20944/preprints202003.0455.v1
Subject:
Biology And Life Sciences,
Virology
Keywords:
COVID-19; Essential oil; Eucalyptol; Molecular docking
Online: 31 March 2020 (10:16:13 CEST)
BRIEF REPORT
|
doi:10.20944/preprints202002.0242.v2
Subject:
Medicine And Pharmacology,
Pharmacology And Toxicology
Keywords:
COVID-19; molecular docking; HIV protease inhibitor; nucleotide analogues
Online: 29 February 2020 (12:43:40 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/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)
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
|
doi:10.20944/preprints202102.0264.v1
Subject:
Computer Science And Mathematics,
Mathematical And Computational Biology
Keywords:
SARS-CoV-2, RaTG13, Furin Site, Molecular Evolution, Bioinformatics.
Online: 10 February 2021 (15:46:12 CET)
TECHNICAL NOTE
|
doi:10.20944/preprints202012.0179.v1
Subject:
Engineering,
Automotive Engineering
Keywords:
Python; Molecular Dynamics; Scientific Computing; Periodic Boundary Condition
Online: 8 December 2020 (06:47:59 CET)
ARTICLE
|
doi:10.20944/preprints201906.0310.v1
Subject:
Biology And Life Sciences,
Immunology And Microbiology
Keywords:
cyanobacteria; secondary metabolite; genome mining; molecular networking
Online: 30 June 2019 (10:42:22 CEST)
REVIEW
|
doi:10.20944/preprints202002.0007.v1
Subject:
Biology And Life Sciences,
Virology
Keywords:
molecular diagnostics; molecular epidemiology; HIV; HBV; HCV; HPV; Zika virus; Dengue virus; tuberculosis; SARS; MERS; nCov-2019
Online: 3 February 2020 (03:47:27 CET)
REVIEW
|
doi:10.20944/preprints202201.0310.v1
Subject:
Biology And Life Sciences,
Plant Sciences
Keywords:
DNA barcoding; metabarcoding; BOLD; taxonomy; biodiversity; molecular marker.
Online: 20 January 2022 (15:15:36 CET)
ARTICLE
|
doi:10.20944/preprints202002.0097.v1
Subject:
Biology And Life Sciences,
Biochemistry And Molecular Biology
Keywords:
Protein structure and dynamics; Molecular structure and modeling; Protein and macromolecules; Computational methods and bioinformatics; Computer-based teaching tools; Learning materials and teaching tools; Multimedia teaching tools
Online: 7 February 2020 (11:42:09 CET)
ARTICLE
|
doi:10.20944/preprints201709.0107.v2
Subject:
Physical Sciences,
Atomic And Molecular Physics
Keywords:
electron scattering; cross sections; Rosetta mission; atomic and molecular databases
Online: 21 October 2017 (15:30:59 CEST)
REVIEW
|
doi:10.20944/preprints202004.0333.v1
Subject:
Biology And Life Sciences,
Biochemistry And Molecular Biology
Keywords:
bitter gourd; breeding; genetic diversity; genomics; heterosis; molecular breeding; mutation breeding
Online: 19 April 2020 (06:00:00 CEST)
ARTICLE
|
doi:10.20944/preprints202003.0277.v1
Subject:
Medicine And Pharmacology,
Medicine And Pharmacology
Keywords:
COVID-19; hydrolysable tannins; protease; molecular docking; structural-relationship activity
Online: 17 March 2020 (15:43:48 CET)
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)
ARTICLE
|
doi:10.20944/preprints202004.0334.v1
Subject:
Chemistry And Materials Science,
Medicinal Chemistry
Keywords:
SARS-COV-2; folding/unfolding; antiparasitic; molecular docking; molecular dynamics; COVID-19; Ivermectin
Online: 19 April 2020 (06:56:09 CEST)
ARTICLE
|
doi:10.20944/preprints202002.0308.v1
Subject:
Medicine And Pharmacology,
Pharmacology And Toxicology
Keywords:
SARS-CoV-2; COVID-19; 3CL protease; molecular docking; molecular dynamics and simulations
Online: 23 February 2020 (02:17:46 CET)
ARTICLE
|
doi:10.20944/preprints201611.0021.v1
Subject:
Chemistry And Materials Science,
Other
Keywords:
molecular imprinting technique; bilirubin; QCM; PHEMA; nanosensor
Online: 2 November 2016 (17:34:43 CET)
ARTICLE
|
doi:10.20944/preprints201805.0166.v1
Subject:
Engineering,
Industrial And Manufacturing Engineering
Keywords:
VCM suspension polymerization, initiator mixtures, molecular characteristics, morphological properties
Online: 10 May 2018 (13:11:48 CEST)
ARTICLE
|
doi:10.20944/preprints202004.0079.v1
Subject:
Chemistry And Materials Science,
Medicinal Chemistry
Keywords:
COVID-19; Nigella Sativa; 6LU7; 2GTB; molecular docking; MOE software
Online: 7 April 2020 (08:58:42 CEST)
ARTICLE
|
doi:10.20944/preprints201609.0073.v1
Subject:
Medicine And Pharmacology,
Endocrinology And Metabolism
Keywords:
diabetes mellitus, molecular docking, thin layer chromatography, alpha amylase, ellagic acid
Online: 20 September 2016 (16:13:12 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/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/preprints201711.0080.v1
Subject:
Chemistry And Materials Science,
Surfaces, Coatings And Films
Keywords:
PVDF membrane; coagulation bath temperature; polymer molecular weight
Online: 14 November 2017 (10:48:54 CET)
ARTICLE
|
doi:10.20944/preprints201607.0050.v1
Subject:
Engineering,
Mechanical Engineering
Keywords:
Nanochannel; Molecular Dynamics Method; Nanoparticle, Argon; Boiling Process
Online: 18 July 2016 (10:37:40 CEST)
ARTICLE
|
doi:10.20944/preprints201610.0016.v1
Subject:
Medicine And Pharmacology,
Oncology And Oncogenics
Keywords:
molecular dynamics simulation; virtual screening; molecular docking; prostate cancer; caveolin-1
Online: 7 October 2016 (12:09:06 CEST)
ARTICLE
|
doi:10.20944/preprints202004.0149.v1
Subject:
Biology And Life Sciences,
Biochemistry And Molecular Biology
Keywords:
COVID-19; SARS-CoV-2; Mpro; Molecular docking; MM-GBSA
Online: 9 April 2020 (11:05:55 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/preprints201608.0118.v1
Subject:
Biology And Life Sciences,
Anatomy And Physiology
Keywords:
acclimation; coral reefs; endosymbiosis; molecular biology; multivariate statistics; temperature; upwelling
Online: 11 August 2016 (11:03:03 CEST)
REVIEW
|
doi:10.20944/preprints202108.0514.v1
Subject:
Biology And Life Sciences,
Biology And Biotechnology
Keywords:
radish; breeding; interspecific hybridization; molecular breeding; genomics; genetic engineering
Online: 26 August 2021 (16:46:36 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/preprints201612.0094.v1
Subject:
Chemistry And Materials Science,
Applied Chemistry
Keywords:
bulk crystal mesoporous MCM-41; heteroatom molecular sieves; direct hydrothermal method
Online: 18 December 2016 (10:30:52 CET)
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/preprints201806.0426.v1
Subject:
Biology And Life Sciences,
Agricultural Science And Agronomy
Keywords:
rice, abiotic stress, high temperature, drought, physiological responses, molecular mechanisms, systems biology
Online: 26 June 2018 (15:30:20 CEST)
ARTICLE
|
doi:10.20944/preprints201901.0307.v1
Subject:
Chemistry And Materials Science,
Medicinal Chemistry
Keywords:
molecular docking; fluoroquinolones; antimicrobial activity
Online: 30 January 2019 (09:31:52 CET)
REVIEW
|
doi:10.20944/preprints201801.0167.v1
Subject:
Medicine And Pharmacology,
Oncology And Oncogenics
Keywords:
molecular imaging; nanoparticles; cancer diagnosis; imaging modalities
Online: 18 January 2018 (05:12:13 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/preprints202005.0199.v1
Subject:
Medicine And Pharmacology,
Pharmacology And Toxicology
Keywords:
SARS-CoV-2; COVID-19; CADD; virtual screening; approved drugs; drug repurposing; essential targets; molecular docking; molecular dynamics simulations
Online: 11 May 2020 (13:14:18 CEST)
REVIEW
|
doi:10.20944/preprints201705.0212.v1
Subject:
Biology And Life Sciences,
Anatomy And Physiology
Keywords:
cancer; cell-surface receptor; EGFR; molecular mechanism; phosphorylation; receptor tyrosine kinase; transmembrane signal transduction
Online: 30 May 2017 (08:34:04 CEST)
ARTICLE
Subject:
Medicine And Pharmacology,
Pharmacology And Toxicology
Keywords:
COVID-19; SARS-CoV-2; 3CLpro; PLpro; RdRp; AAK1; inhibitor; dock; molecular dynamics
Online: 15 March 2020 (02:34:14 CET)
ARTICLE
|
doi:10.20944/preprints201612.0089.v1
Subject:
Biology And Life Sciences,
Biochemistry And Molecular Biology
Keywords:
origin of life; selection; accumulation; prebiotic chemistry; molecular evolution; vesicles
Online: 16 December 2016 (08:46:10 CET)
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)
Subject:
Chemistry And Materials Science,
Medicinal Chemistry
Keywords:
oleanolic acid derivatives; synthesis; anti-tumor activity; molecular docking; computer-aided drug design
Online: 24 April 2017 (12:08:36 CEST)
ARTICLE
|
doi:10.20944/preprints201706.0006.v1
Subject:
Physical Sciences,
Optics And Photonics
Keywords:
fluorescence recovery after photobleaching; fluorescence correlation spectroscopy; single-particle tracking; supported lipid bilayers; membrane curvature engineering; diffusion; molecular shape
Online: 1 June 2017 (08:03:33 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/preprints202004.0439.v1
Subject:
Biology And Life Sciences,
Biophysics
Keywords:
SARS-CoV-2; COVID-19; spike glycoprotein; variability; molecular docking; molecular dynamics; inhibitors
Online: 24 April 2020 (11:42:01 CEST)
ARTICLE
|
doi:10.20944/preprints201710.0162.v1
Subject:
Chemistry And Materials Science,
Polymers And Plastics
Keywords:
hydrogel; thermal conductivity; 3ω method; molecular dynamics
Online: 25 October 2017 (03:54:39 CEST)
REVIEW
|
doi:10.20944/preprints201807.0033.v1
Subject:
Chemistry And Materials Science,
Nanotechnology
Keywords:
DNA nanotechnology; DNA origami; self-assembly; molecular devices; mechanical movement; robotics
Online: 3 July 2018 (10:03:21 CEST)
ARTICLE
|
doi:10.20944/preprints202006.0358.v1
Subject:
Chemistry And Materials Science,
Medicinal Chemistry
Keywords:
Enzyme inhibition; Secondary Metabolites; In-silico Analysis; Molecular docking; Drug candidates
Online: 30 June 2020 (08:11:28 CEST)
ARTICLE
|
doi:10.20944/preprints201801.0072.v1
Subject:
Chemistry And Materials Science,
Nanotechnology
Keywords:
interface structure; molecular dynamics; diffusion coefficient; uniaxial tension; orientation
Online: 9 January 2018 (03:27:22 CET)
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/preprints202011.0524.v1
Subject:
Chemistry And Materials Science,
Analytical Chemistry
Keywords:
zinc finger; protein; MM/GBSA; DNA binding; molecular dynamics; mutation; linkers
Online: 19 November 2020 (21:21:37 CET)
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)
REVIEW
|
doi:10.20944/preprints202301.0323.v1
Subject:
Biology And Life Sciences,
Biochemistry And Molecular Biology
Keywords:
next-generation sequencing; nanopore sequencing; biosensors; single-molecule analysis; molecular diagnostics; genetics; transcriptomics; epigenetics
Online: 18 January 2023 (07:36:43 CET)
ARTICLE
|
doi:10.20944/preprints201804.0016.v1
Subject:
Biology And Life Sciences,
Biochemistry And Molecular Biology
Keywords:
colorectal cancer; gene expression; molecular classification; molecular subtyping
Online: 2 April 2018 (09:55:26 CEST)
REVIEW
|
doi:10.20944/preprints202002.0261.v2
Subject:
Biology And Life Sciences,
Virology
Keywords:
epidemics; molecular replicators; mutation; quasispecies; recombination; self-assembly; phase transitions
Online: 29 October 2020 (09:30:44 CET)
ARTICLE
|
doi:10.20944/preprints202101.0148.v1
Subject:
Physical Sciences,
Atomic And Molecular Physics
Keywords:
Contact angle; Molecular Dynamics; C sharp; hydrophobic; hydrophilic
Online: 8 January 2021 (11:41:35 CET)
ARTICLE
|
doi:10.20944/preprints201908.0238.v1
Subject:
Medicine And Pharmacology,
Oncology And Oncogenics
Keywords:
aurora kinase A; molecular docking; DFT; MD simulation
Online: 23 August 2019 (05:01:40 CEST)
ARTICLE
Subject:
Chemistry And Materials Science,
Physical Chemistry
Keywords:
heat capacity; molecular volume; force-field geometry optimization; hydrocarbons; ionic liquids; siloxanes; metal complexes
Online: 29 March 2019 (08:54:23 CET)
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/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/preprints201709.0154.v1
Subject:
Medicine And Pharmacology,
Pharmacy
Keywords:
penetration enhancement effect; molecular mechanism; coarse grain molecular dynamics; menthol; borneol; 5-FU
Online: 29 September 2017 (12:39:49 CEST)
ARTICLE
|
doi:10.20944/preprints201707.0059.v1
Subject:
Chemistry And Materials Science,
Physical Chemistry
Keywords:
open-cyclic tautomers; molecular switching; decay-associated spectra; warfarin; excited-state lifetime; cyclodextrins
Online: 21 July 2017 (04:56:54 CEST)
ARTICLE
|
doi:10.20944/preprints201705.0005.v1
Subject:
Chemistry And Materials Science,
Organic Chemistry
Keywords:
azomethine imine; [3+2] cycloaddition reactions; molecular electron density theory; conceptual density functional theory; electron localisation function; bonding evolution theory; electron density; molecular mechanisms; chemical reactivity.
Online: 1 May 2017 (08:13:26 CEST)
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)
REVIEW
|
doi:10.20944/preprints202402.0637.v1
Subject:
Biology And Life Sciences,
Biology And Biotechnology
Keywords:
TPD; PROTAC; molecular glue degrader; heterobifunctional degrader; Ubiquitin; proteasome; targeted protein degradation
Online: 12 February 2024 (07:43:06 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)
REVIEW
|
doi:10.20944/preprints202108.0489.v1
Subject:
Biology And Life Sciences,
Plant Sciences
Keywords:
Heat stress; molecular responses; morphological responses; physiological process; reproductive activity
Online: 25 August 2021 (11:46:08 CEST)
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/preprints201907.0222.v1
Subject:
Biology And Life Sciences,
Immunology And Microbiology
Keywords:
antimicrobial resistance; biocuration; microbial nomenclature; molecular epidemiology
Online: 19 July 2019 (08:23:38 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/preprints202206.0392.v1
Subject:
Biology And Life Sciences,
Biology And Biotechnology
Keywords:
Multi Epitope; monkeypox virus (MPXV); Vaccine; Immunoinformatics; In silico; Molecular docking
Online: 29 June 2022 (03:43:30 CEST)
ARTICLE
|
doi:10.20944/preprints201806.0150.v1
Subject:
Chemistry And Materials Science,
Theoretical Chemistry
Keywords:
molecular dynamics simulation; amorphous; physical stability; hydrogen-bond; molecular mobility; mixing energy; molecular interactions
Online: 11 June 2018 (10:24:14 CEST)
ARTICLE
|
doi:10.20944/preprints202001.0109.v1
Subject:
Medicine And Pharmacology,
Pharmacology And Toxicology
Keywords:
Alzheimer’s disease; curcumin; network pharmacology; molecular simulation; neurodegeneration; TrkB/PI3K signaling; autophagy
Online: 11 January 2020 (13:53:12 CET)
REVIEW
|
doi:10.20944/preprints202012.0708.v1
Subject:
Biology And Life Sciences,
Anatomy And Physiology
Keywords:
Phytochemicals; SARS-CoV-2; S-Protein; Molecular docking; ACE 2
Online: 28 December 2020 (16:51:12 CET)
ARTICLE
|
doi:10.20944/preprints201805.0144.v1
Subject:
Biology And Life Sciences,
Biochemistry And Molecular Biology
Keywords:
citrus breeding; diversity; genetic similarity; Lime; molecular markers; PCR
Online: 9 May 2018 (11:05:37 CEST)
ARTICLE
|
doi:10.20944/preprints202202.0222.v1
Subject:
Medicine And Pharmacology,
Gastroenterology And Hepatology
Keywords:
hepatocellular carcinoma; lenvatinib; molecular targeted agents; complete response; CT value
Online: 18 February 2022 (04:05:18 CET)
REVIEW
|
doi:10.20944/preprints202112.0092.v1
Subject:
Chemistry And Materials Science,
Applied Chemistry
Keywords:
deep eutectic solvents; computer simulation; quantum mechanics; molecular dynamics; machine leaning.
Online: 6 December 2021 (16:16:32 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
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)
ARTICLE
|
doi:10.20944/preprints201910.0174.v1
Subject:
Chemistry And Materials Science,
Medicinal Chemistry
Keywords:
AQP3 protein; molecular docking; molecular dynamics; MM-GBSA analysis; pharmacophore-based filter
Online: 16 October 2019 (04:37:31 CEST)
ARTICLE
|
doi:10.20944/preprints202006.0326.v1
Subject:
Chemistry And Materials Science,
Medicinal Chemistry
Keywords:
2019-nCoV; 3CLpro protein; Cat's Claw; Uncaria tomentosa; Molecular Modeling
Online: 28 June 2020 (09:05:54 CEST)
REVIEW
|
doi:10.20944/preprints202107.0506.v1
Subject:
Medicine And Pharmacology,
Immunology And Allergy
Keywords:
Drug repositioning; Molecular modelling; Beauvericin
Online: 22 July 2021 (07:48:33 CEST)
REVIEW
|
doi:10.20944/preprints201810.0360.v1
Subject:
Chemistry And Materials Science,
Medicinal Chemistry
Keywords:
Molecular Dynamics, CoSolvent Molecular Dynamics, Drug design, Fragment Screening, Docking
Online: 16 October 2018 (12:15:17 CEST)
ARTICLE
|
doi:10.20944/preprints201805.0350.v1
Subject:
Biology And Life Sciences,
Biochemistry And Molecular Biology
Keywords:
abies beshanzuensis; ITS variation; structure; molecular phylogeny
Online: 24 May 2018 (10:40:55 CEST)
COMMUNICATION
|
doi:10.20944/preprints202003.0395.v2
Subject:
Biology And Life Sciences,
Biology And Biotechnology
Keywords:
Novel coronavirus (SARS-CoV-2); RdRp; HCV; beclabuvir; in silico; molecular docking
Online: 2 April 2020 (11:25:57 CEST)
REVIEW
|
doi:10.20944/preprints201908.0271.v1
Subject:
Biology And Life Sciences,
Biophysics
Keywords:
GPCRs; membrane protein; molecular dynamics; protein structure; drug design; biased-signaling pathway; allosteric sites
Online: 26 August 2019 (15:34:57 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)
REVIEW
|
doi:10.20944/preprints202012.0681.v1
Subject:
Biology And Life Sciences,
Anatomy And Physiology
Keywords:
Fungi; oomycetes; resistance; susceptibility; molecular mechanisms; quantitative trait loci; mapping
Online: 28 December 2020 (11:12:35 CET)
ARTICLE
|
doi:10.20944/preprints201902.0240.v1
Online: 26 February 2019 (12:38:17 CET)
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)
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/preprints201805.0133.v1
Subject:
Chemistry And Materials Science,
Medicinal Chemistry
Keywords:
antioxidant potential; molecular docking; molecular descriptors; binding free energy; free radicals; oxidative stress
Online: 8 May 2018 (15:38:38 CEST)
ARTICLE
|
doi:10.20944/preprints201806.0012.v1
Subject:
Biology And Life Sciences,
Biochemistry And Molecular Biology
Keywords:
Trypanosoma cruzi; benznidazole; resistance; quantum mechanics; molecular mechanics
Online: 1 June 2018 (10:22:17 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)
COMMUNICATION
|
doi:10.20944/preprints202012.0589.v1
Subject:
Chemistry And Materials Science,
Biomaterials
Keywords:
mineral suspension; thinner; free radical polymerization; molecular weight regulator; sodium polyacrylate
Online: 23 December 2020 (13:50:07 CET)
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)
ARTICLE
|
doi:10.20944/preprints201808.0054.v1
Subject:
Chemistry And Materials Science,
Nanotechnology
Keywords:
few layer graphene production; aqueous suspension; pyrene derivative; molecular modelling
Online: 2 August 2018 (23:52:47 CEST)
ARTICLE
|
doi:10.20944/preprints202201.0095.v2
Subject:
Chemistry And Materials Science,
Theoretical Chemistry
Keywords:
antioxidant activity; eearomatization; frontier molecular orbital; fukui function f0; DFT
Online: 3 February 2022 (15:19:51 CET)