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/preprints201807.0044.v1
Subject:
Medicine And Pharmacology,
Pharmacology And Toxicology
Keywords:
high and low molecular weight chitosan; lipid metabolism; liver lipid accumulation
Online: 3 July 2018 (12:13:20 CEST)
ARTICLE
|
doi:10.20944/preprints202111.0406.v1
Online: 22 November 2021 (14:22:59 CET)
ARTICLE
Subject:
Chemistry And Materials Science,
Medicinal Chemistry
Keywords:
azolines synthesis; quorum sensing; Chromobacterium violaceum CV026; molecular docking; molecular dynamics
Online: 6 May 2019 (08:59:08 CEST)
ARTICLE
|
doi:10.20944/preprints202401.0189.v1
Subject:
Chemistry And Materials Science,
Materials Science And Technology
Keywords:
SBS modifiers; rubber modifiers; molecular simulation technology
Online: 3 January 2024 (09:23:12 CET)
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
|
doi:10.20944/preprints202404.1825.v1
Subject:
Biology And Life Sciences,
Biochemistry And Molecular Biology
Keywords:
main protease (Mpro); ivermectin; nirmatrelvir; SARS-CoV-2; molecular docking; molecular dynamics
Online: 28 April 2024 (07:07:33 CEST)
ARTICLE
|
doi:10.20944/preprints202407.1251.v1
Subject:
Chemistry And Materials Science,
Medicinal Chemistry
Keywords:
α-glucosidase inhibitor; biaryl polyketides; molecular docking; molecular dynamics; nonaketide; setomimycin BGC
Online: 17 July 2024 (04:16:49 CEST)
REVIEW
|
doi:10.20944/preprints202311.1901.v1
Subject:
Medicine And Pharmacology,
Immunology And Allergy
Keywords:
COVID-19; SARS COV2; coronavirus; autoimmunity; molecular mimicry
Online: 29 November 2023 (15:25:59 CET)
ARTICLE
|
doi:10.20944/preprints202012.0280.v1
Subject:
Biology And Life Sciences,
Food Science And Technology
Keywords:
Thaumatin, sweet protein, molecular farming, natural sweeteners
Online: 11 December 2020 (12:56:40 CET)
ARTICLE
|
doi:10.20944/preprints202010.0098.v1
Subject:
Biology And Life Sciences,
Biochemistry And Molecular Biology
Keywords:
Tuberculosis; 4-hydroxybenzaldehyde; bergapten; molecular docking
Online: 5 October 2020 (15:39:44 CEST)
ARTICLE
|
doi:10.20944/preprints202312.2071.v1
Subject:
Biology And Life Sciences,
Plant Sciences
Keywords:
Bulbophyllum; chloroplast genome; molecular markers; phylogenetics analysis
Online: 28 December 2023 (02:11:10 CET)
ARTICLE
|
doi:10.20944/preprints201811.0629.v1
Subject:
Medicine And Pharmacology,
Oncology And Oncogenics
Keywords:
bufadienolides-like chemicals; molecular mechanism; anti-cancer; bioinformatics
Online: 30 November 2018 (10:14:58 CET)
ARTICLE
|
doi:10.20944/preprints201806.0023.v2
Subject:
Biology And Life Sciences,
Biochemistry And Molecular Biology
Keywords:
molecular dynamics simulation; 17β-estradiol; DNA-aptamer; GROMACS; modeling
Online: 12 July 2018 (11:29:54 CEST)
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/preprints202102.0014.v1
Subject:
Biology And Life Sciences,
Biochemistry And Molecular Biology
Keywords:
canine distemper virus; signaling lymphocytic activation molecule; fragment molecular orbital calculation; molecular dynamics simulation
Online: 1 February 2021 (11:29:27 CET)
ARTICLE
|
doi:10.20944/preprints202311.1285.v1
Subject:
Medicine And Pharmacology,
Medicine And Pharmacology
Keywords:
antimicrobial activity; molecular dynamics; membrane; peptide; structure-activity relationship
Online: 21 November 2023 (07:27:05 CET)
ARTICLE
|
doi:10.20944/preprints202310.0151.v1
Subject:
Biology And Life Sciences,
Horticulture
Keywords:
salt stress; Crossostephium chinense; ABA signaling transduction; molecular mechanism
Online: 3 October 2023 (11:13:36 CEST)
ARTICLE
|
doi:10.20944/preprints202305.1530.v1
Subject:
Biology And Life Sciences,
Plant Sciences
Keywords:
Abiotic stresses; Molecular breeding; Machine learning; Responsive genes; Adapted crops
Online: 22 May 2023 (15:29:12 CEST)
ARTICLE
|
doi:10.20944/preprints202307.1457.v1
Subject:
Chemistry And Materials Science,
Medicinal Chemistry
Keywords:
Anti-diabetic; Alpha amylase; Adhatoda vasica; Molecular docking
Online: 21 July 2023 (10:09:28 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/preprints202211.0283.v1
Subject:
Chemistry And Materials Science,
Theoretical Chemistry
Keywords:
dioxins; lipid membranes; molecular dynamics; QM/MM; EDA
Online: 15 November 2022 (09:50:18 CET)
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/preprints202308.1885.v1
Subject:
Chemistry And Materials Science,
Food Chemistry
Keywords:
Cheminformatics; Taste prediction; Machine learning; Deep learning; Molecular feature representation
Online: 29 August 2023 (03:06:30 CEST)
REVIEW
|
doi:10.20944/preprints202202.0004.v1
Subject:
Biology And Life Sciences,
Biology And Biotechnology
Keywords:
Spatial transcriptomics; Molecular imaging; single-cell RNA-seq; intratumoral heterogeneity
Online: 1 February 2022 (11:08:51 CET)
ARTICLE
|
doi:10.20944/preprints202304.1066.v1
Subject:
Chemistry And Materials Science,
Physical Chemistry
Keywords:
crocin; antioxidant properties; pulse radiolysis; gamma radiolysis; molecular simulation; mechanism.
Online: 27 April 2023 (09:55:53 CEST)
ARTICLE
|
doi:10.20944/preprints202010.0472.v1
Subject:
Biology And Life Sciences,
Anatomy And Physiology
Keywords:
BLB Resistance; Xa genes; Xoo; Molecular characterization; Rice; LRR; S_TKc
Online: 23 October 2020 (09:13:39 CEST)
ARTICLE
|
doi:10.20944/preprints202303.0209.v1
Subject:
Biology And Life Sciences,
Agricultural Science And Agronomy
Keywords:
chili sauce; Lactiplantibacillus plantarum; feature-based molecular network; metabolomics; taste
Online: 13 March 2023 (03:09:30 CET)
ARTICLE
|
doi:10.20944/preprints202010.0576.v2
Subject:
Chemistry And Materials Science,
Medicinal Chemistry
Keywords:
Antimalarial; Erythrina fusca; Phaseolin; Molecular docking; Phytochemical analysis
Online: 21 October 2021 (12:08:52 CEST)
ARTICLE
|
doi:10.20944/preprints202404.0321.v1
Subject:
Public Health And Healthcare,
Public Health And Health Services
Keywords:
E. coli; STEC; epidemiology; surveillance; molecular biology; PCR; dairy; bovines.
Online: 3 April 2024 (16:33:33 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)
REVIEW
|
doi:10.20944/preprints202406.1834.v1
Subject:
Physical Sciences,
Biophysics
Keywords:
Particle Dynamics; Molecular Diffusion; Molecular Trajectory Statistics; Single-Molecule Analysis; Single Molecule Tracking; Machine Learning in Biology; Quantitative Microscopy; Quantitative Biology; Hidden Markov Models; Moment Scaling Spectrum
Online: 27 June 2024 (03:59:24 CEST)
ARTICLE
|
doi:10.20944/preprints202311.0180.v1
Subject:
Biology And Life Sciences,
Animal Science, Veterinary Science And Zoology
Keywords:
sheep oocytes; antral follicle; single-cell transcriptomics; molecular signatures; signaling pathways
Online: 2 November 2023 (14:40:47 CET)
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/preprints202106.0297.v1
Subject:
Biology And Life Sciences,
Biochemistry And Molecular Biology
Keywords:
Trueperella pyogenes; TatD DNases; luteolin; DNA hydrolysis; molecular modeling; SPR
Online: 10 June 2021 (14:13:37 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/preprints202306.2266.v1
Subject:
Medicine And Pharmacology,
Pediatrics, Perinatology And Child Health
Keywords:
Inherited metabolic disease; bibliometric study; newborn screening; gene therapy; metabolomics; molecular genetic analysis; phenylketonuria
Online: 30 June 2023 (14:24:03 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/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)
ARTICLE
|
doi:10.20944/preprints202112.0049.v1
Subject:
Biology And Life Sciences,
Agricultural Science And Agronomy
Keywords:
bacterial wilt; biological control; phage; microscopy; sequencing; molecular characterization; genomic characterization; depolymerase
Online: 3 December 2021 (10:36:47 CET)
ARTICLE
|
doi:10.20944/preprints202407.0477.v1
Subject:
Medicine And Pharmacology,
Epidemiology And Infectious Diseases
Keywords:
DENV3; ZIKV; molecular docking; MD simulations; MM/GBSA; compound library; NS5; lycorine
Online: 5 July 2024 (12:04:10 CEST)
ARTICLE
|
doi:10.20944/preprints202305.1174.v2
Subject:
Medicine And Pharmacology,
Medicine And Pharmacology
Keywords:
Eurycoma longifolia; quassinoids; cancer cell lines; apoptosis; TNF-α; DHFR; molecular docking; ADMET.
Online: 22 May 2023 (11:02:09 CEST)
ARTICLE
|
doi:10.20944/preprints202009.0005.v1
Subject:
Biology And Life Sciences,
Virology
Keywords:
mink astrovirus; molecular diagnostics; molecular polymorphism; phylogenetics
Online: 1 September 2020 (11:18:15 CEST)
ARTICLE
|
doi:10.20944/preprints201807.0085.v1
Subject:
Biology And Life Sciences,
Biochemistry And Molecular Biology
Keywords:
CagA; phosphatidylserine; phosphatidylserine mutations; conservation N-terminal CagA; homology modeling; molecular docking
Online: 5 July 2018 (08:34:40 CEST)
ARTICLE
|
doi:10.20944/preprints202206.0144.v1
Subject:
Chemistry And Materials Science,
Medicinal Chemistry
Keywords:
Molecular docking; molecular dynamics; pharmacophore; molecular modeling; XIAP protein; protein inhibitor; anticancer activity
Online: 9 June 2022 (11:08:29 CEST)
REVIEW
|
doi:10.20944/preprints202203.0089.v1
Subject:
Biology And Life Sciences,
Biology And Biotechnology
Keywords:
CRISPR-Cas; SARS-CoV-2; molecular diagnostics; isothermal amplification; comparative analysis; nucleic acid detection
Online: 7 March 2022 (04:53:25 CET)
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/preprints202311.1031.v1
Subject:
Biology And Life Sciences,
Plant Sciences
Keywords:
plant-microbe symbiosis; legumes; Pisum sativum; symbiotic responsivity; genomics; transcriptomics; differential gene expression; molecular breeding
Online: 15 November 2023 (15:49:19 CET)
ARTICLE
|
doi:10.20944/preprints202307.0556.v1
Subject:
Chemistry And Materials Science,
Polymers And Plastics
Keywords:
multi-scale model; CNT/NBR composites; molecular dynamics; finite element analysis; friction coefficient
Online: 10 July 2023 (07:10:48 CEST)
ARTICLE
|
doi:10.20944/preprints202404.0644.v1
Subject:
Medicine And Pharmacology,
Obstetrics And Gynaecology
Keywords:
aging; inflammation; endometrium cells; molecular markers; molecular targets
Online: 9 April 2024 (11:49:25 CEST)
ARTICLE
|
doi:10.20944/preprints202308.1856.v1
Subject:
Biology And Life Sciences,
Parasitology
Keywords:
chalcones; anti-leishmanial activity; molecular docking; molecular dynamic
Online: 28 August 2023 (10:27:43 CEST)
ARTICLE
|
doi:10.20944/preprints202308.1503.v1
Subject:
Chemistry And Materials Science,
Medicinal Chemistry
Keywords:
molecular dynamic simulations; molecular docking; neuroprotection; acetylcholinesterase; zebrafish
Online: 22 August 2023 (08:58:41 CEST)
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)
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/preprints202305.2140.v1
Subject:
Medicine And Pharmacology,
Obstetrics And Gynaecology
Keywords:
SARS-CoV-2; COVID-19; term pregnancy; vertical transmission; placental gene expression; molecular pathways
Online: 30 May 2023 (12:36:54 CEST)
ARTICLE
|
doi:10.20944/preprints202305.1881.v1
Subject:
Biology And Life Sciences,
Life Sciences
Keywords:
Euphorbia ingens; Anticancer; Antiproliferative; Prostate Cancer; Network Pharmacology; Phyto-chemicals; Mechanism of action; Molecular targets
Online: 26 May 2023 (07:46:44 CEST)
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
Subject:
Physical Sciences,
Acoustics
Keywords:
pyroelectricity; temperature modulation; molecular ferroelectrics; non-contact measurement; thermal diffusion model; lithium niobate
Online: 30 July 2021 (09:22:29 CEST)
ARTICLE
|
doi:10.20944/preprints201902.0064.v1
Subject:
Chemistry And Materials Science,
Medicinal Chemistry
Keywords:
Dopamine receptors, Molecular Docking, Molecular Dynamics, Receptor-Ligand Interactions
Online: 6 February 2019 (13:54:13 CET)
ARTICLE
|
doi:10.20944/preprints202311.0336.v1
Subject:
Biology And Life Sciences,
Plant Sciences
Keywords:
Poa crymophila; cold stresses; physiology; transcriptome analysis; weighted correlation network analysis (WGCNA); molecular mechanisms
Online: 6 November 2023 (10:33:41 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/preprints202305.0285.v1
Subject:
Biology And Life Sciences,
Virology
Keywords:
SARS-CoV-2; Epidemiology; Wastewater-based Epidemiology; Phylogenetic Analysis; Machine Learning Approach; Molecular virology
Online: 5 May 2023 (03:31:35 CEST)
ARTICLE
|
doi:10.20944/preprints202201.0286.v3
Subject:
Medicine And Pharmacology,
Oncology And Oncogenics
Keywords:
novel ncRNAs; DE landscape; LSCs and LTCs; LncRNA; MiRNA; CircRNA; ceRNA networks; molecular mechanism
Online: 4 August 2022 (16:29:49 CEST)
ARTICLE
|
doi:10.20944/preprints202308.0933.v1
Subject:
Medicine And Pharmacology,
Oncology And Oncogenics
Keywords:
PDAC; precision medicine; gene alterations; molecular profiling; molecular targeted therapies
Online: 11 August 2023 (11:06:09 CEST)
ARTICLE
|
doi:10.20944/preprints202304.0254.v1
Subject:
Biology And Life Sciences,
Toxicology
Keywords:
cancer cells; quinones; mTOR; antiproliferative activity; molecular descriptors; molecular docking
Online: 12 April 2023 (07:57:34 CEST)
ARTICLE
|
doi:10.20944/preprints202107.0395.v1
Subject:
Medicine And Pharmacology,
Immunology And Allergy
Keywords:
Melatonin; molecular modelling; adsorption; clays; modified drug release; molecular dynamics
Online: 19 July 2021 (08:44:04 CEST)
ARTICLE
|
doi:10.20944/preprints202002.0383.v1
Subject:
Medicine And Pharmacology,
Medicine And Pharmacology
Keywords:
Salmonella; antibiotic resistance; immunoinformatic; epitope; molecular docking; molecular dynamics simulation
Online: 26 February 2020 (01:56:41 CET)
ARTICLE
Subject:
Biology And Life Sciences,
Biochemistry And Molecular Biology
Keywords:
USP14; molecular docking; molecular dynamic simulation; cancer; ubiquitin; drug discovery
Online: 23 December 2019 (12:36:38 CET)
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/preprints201908.0223.v1
Subject:
Chemistry And Materials Science,
Medicinal Chemistry
Keywords:
LSD1; molecular inhibitors; thieno[3,2-b]pyrrole-5-carboxamide derivatives; Molecular docking; 3D-QSAR; Molecular dynamics simulations
Online: 21 August 2019 (09:54:43 CEST)
REVIEW
|
doi:10.20944/preprints202406.1137.v1
Subject:
Biology And Life Sciences,
Life Sciences
Keywords:
Potassium channel; Kv7; KCNQ; Molecular docking; Molecular Dynamics; Antiepileptic; Epileptic Encephalopathy
Online: 17 June 2024 (12:16:18 CEST)
ARTICLE
|
doi:10.20944/preprints202312.2167.v1
Subject:
Chemistry And Materials Science,
Materials Science And Technology
Keywords:
Molecular diffusion; Electro Fluid Dynamic Atomization; Sodium Alginate; Molecular weight; Biopolymers
Online: 28 December 2023 (15:04:13 CET)
ARTICLE
|
doi:10.20944/preprints202310.0918.v1
Subject:
Medicine And Pharmacology,
Hematology
Keywords:
drug sensitivity scores; molecular modeling; molecular docking; four-parameter logistic curve
Online: 16 October 2023 (11:38:46 CEST)
ARTICLE
|
doi:10.20944/preprints202002.0062.v1
Subject:
Biology And Life Sciences,
Virology
Keywords:
Integrase; HIV-1; Naturally occurring polymorphism; diversity; Molecular Modelling; Molecular Docking
Online: 5 February 2020 (11:02:15 CET)
ARTICLE
|
doi:10.20944/preprints201807.0251.v1
Subject:
Chemistry And Materials Science,
Medicinal Chemistry
Keywords:
docking; epigenetics; epi-informatics; molecular interactions; molecular dynamics; natural products; flavonoids
Online: 14 July 2018 (17:45:16 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/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)
ARTICLE
|
doi:10.20944/preprints202403.0055.v1
Subject:
Chemistry And Materials Science,
Materials Science And Technology
Keywords:
Molecular magnetic material; nickel-radical molecular complex; mixed spin-(1/2, 1) Heisenberg dimer; molecular qubit; room-temperature entanglement
Online: 1 March 2024 (18:22:49 CET)
ARTICLE
|
doi:10.20944/preprints202311.0729.v1
Subject:
Chemistry And Materials Science,
Biomaterials
Keywords:
formulation; nanosuspension; molecular dynamics
Online: 13 November 2023 (08:35:33 CET)
ARTICLE
|
doi:10.20944/preprints202207.0244.v1
Subject:
Physical Sciences,
Atomic And Molecular Physics
Keywords:
Computational Atomic; Molecular Physics
Online: 18 July 2022 (03:30:21 CEST)
ARTICLE
|
doi:10.20944/preprints201902.0240.v1
Online: 26 February 2019 (12:38:17 CET)
ARTICLE
|
doi:10.20944/preprints202310.0991.v1
Subject:
Chemistry And Materials Science,
Medicinal Chemistry
Keywords:
Mori Folium; Eucommiae Cortex; immunosuppression; network pharmacology; molecular docking; molecular dynamics simulations
Online: 17 October 2023 (05:46:14 CEST)
ARTICLE
|
doi:10.20944/preprints202102.0087.v1
Subject:
Physical Sciences,
Condensed Matter Physics
Keywords:
Environmental molecular beam; molecular dynamics; phase transition; secondary organic aerosol; sorption kinetics
Online: 2 February 2021 (13:08:44 CET)
REVIEW
|
doi:10.20944/preprints202012.0700.v1
Subject:
Biology And Life Sciences,
Biochemistry And Molecular Biology
Keywords:
renal progenitors; molecular mechanisms; kidney injury; single cell RNA sequencing; molecular signature
Online: 28 December 2020 (12:40:17 CET)
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/preprints201807.0069.v1
Subject:
Chemistry And Materials Science,
Theoretical Chemistry
Keywords:
quantum mechanics/molecular mechanics; molecular dynamics; adaptive QM/MM; condensed matter; solvation
Online: 4 July 2018 (10:46:45 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/preprints202301.0076.v1
Subject:
Chemistry And Materials Science,
Medicinal Chemistry
Keywords:
COVID-19; drug repurposing; long COVID; molecular docking; molecular dynamics; SARS-CoV-2
Online: 4 January 2023 (09:38:47 CET)
ARTICLE
|
doi:10.20944/preprints202210.0302.v1
Subject:
Biology And Life Sciences,
Virology
Keywords:
poxviruses; monkeypox virus; envelope proteins; drug repurposing; bioactive phytochemicals; molecular docking, molecular simulation
Online: 20 October 2022 (09:32:02 CEST)
ARTICLE
|
doi:10.20944/preprints202203.0328.v1
Subject:
Biology And Life Sciences,
Virology
Keywords:
Zika Virus; Flavonoids; Azadirachta indica; Molecular Docking; Molecular Dynamics Simulation; Binding free energy
Online: 24 March 2022 (09:31:59 CET)
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/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/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/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/preprints201905.0364.v1
Subject:
Physical Sciences,
Astronomy And Astrophysics
Keywords:
atomic and molecular spectroscopy; time-resolved spectroscopy; laser plasma; laser-induced optical breakdown; stellar astrophysics spectra; white dwarf stars; hydrogen; carbon Swan spectra
Online: 30 May 2019 (08:53:35 CEST)
ARTICLE
|
doi:10.20944/preprints202407.1491.v1
Subject:
Biology And Life Sciences,
Biochemistry And Molecular Biology
Keywords:
Life origin; molecular evolution; abiogenesis
Online: 18 July 2024 (11:10:03 CEST)
ARTICLE
|
doi:10.20944/preprints202407.1381.v1
Subject:
Chemistry And Materials Science,
Theoretical Chemistry
Keywords:
molecular dynamics; infrared spectroscopy; methodology
Online: 17 July 2024 (13:30:55 CEST)
SHORT NOTE
|
doi:10.20944/preprints202406.0924.v2
Subject:
Chemistry And Materials Science,
Medicinal Chemistry
Keywords:
benzothiazole; benzoxazole; antidiabetic; molecular docking
Online: 16 July 2024 (14:52:48 CEST)
REVIEW
|
doi:10.20944/preprints202308.0706.v2
Subject:
Biology And Life Sciences,
Immunology And Microbiology
Keywords:
Interferon; Innate; Adaptive; Genetic; Molecular
Online: 26 September 2023 (11:35:53 CEST)