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/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)
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/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/preprints201902.0066.v1
Subject:
Biology And Life Sciences,
Immunology And Microbiology
Keywords:
Escherichia coli; antimicrobial resistance; infection; molecular epidemiology
Online: 7 February 2019 (09:15:44 CET)
ARTICLE
|
doi:10.20944/preprints202109.0275.v1
Subject:
Medicine And Pharmacology,
Pharmacy
Keywords:
Cloud infrastructure; Spark; Molecular Dynamics simulations; Drug design.
Online: 16 September 2021 (11:02:38 CEST)
ARTICLE
|
doi:10.20944/preprints201912.0281.v1
Subject:
Chemistry And Materials Science,
Applied Chemistry
Keywords:
genetic algorithms; MOFs; metal-organic frameworks; molecular modelling; arrays
Online: 21 December 2019 (10:55:20 CET)
ARTICLE
|
doi:10.20944/preprints202309.1199.v1
Subject:
Biology And Life Sciences,
Biology And Biotechnology
Keywords:
protein-protein interaction; fragment molecular orbital method; polo-like kinase 1; molecular dynamics simulation
Online: 19 September 2023 (03:58:32 CEST)
ARTICLE
|
doi:10.20944/preprints202304.0566.v1
Subject:
Biology And Life Sciences,
Biochemistry And Molecular Biology
Keywords:
anticancer agents; microtubules; molecular docking; Plagiochila species; plagiochilin A; α-tubulin.
Online: 19 April 2023 (07:59:13 CEST)
ARTICLE
|
doi:10.20944/preprints202211.0376.v1
Subject:
Chemistry And Materials Science,
Medicinal Chemistry
Keywords:
synthesis; leishmaniasis; flavonoids; rCPB; molecular modelling.
Online: 21 November 2022 (06:29:51 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)
REVIEW
|
doi:10.20944/preprints202409.0013.v1
Subject:
Artificial Intelligence And Machine Learning,
Computer Science And Mathematics
Keywords:
Computational Biology; Protein Engineering; Artificial Intelligence; Molecular Design; De Novo Protein Design; Therapeutic Proteins; Synthetic Biology
Online: 2 September 2024 (09:12:26 CEST)
ARTICLE
|
doi:10.20944/preprints202305.0281.v1
Subject:
Biology And Life Sciences,
Biochemistry And Molecular Biology
Keywords:
Antibody; PG16; HIV-1; peptides; antibody mimetic peptides; molecular dynamics
Online: 5 May 2023 (03:08:46 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/preprints202205.0143.v1
Subject:
Biology And Life Sciences,
Biology And Biotechnology
Keywords:
Marburg virus disease (MVD); Vaccine design; Immunoinformatic; Molecular Docking Study.
Online: 10 May 2022 (14:16:20 CEST)
ARTICLE
|
doi:10.20944/preprints202109.0339.v1
Subject:
Chemistry And Materials Science,
Biomaterials
Keywords:
Polysaccharide biomaterials; capsule polymerases; galactosyltransferase; molecular dynamics simulations; bioremediation; protein engineering; Neisseria meningitidis
Online: 20 September 2021 (15:08:47 CEST)
ARTICLE
|
doi:10.20944/preprints202305.1546.v1
Subject:
Chemistry And Materials Science,
Organic Chemistry
Keywords:
Oleanolic acid; phtalimidines; triazole; click chemistry; antibacterial activity; molecular docking
Online: 23 May 2023 (03:33:09 CEST)
ARTICLE
|
doi:10.20944/preprints202402.0731.v1
Subject:
Chemistry And Materials Science,
Medicinal Chemistry
Keywords:
Benzofuran; Alzheimer’ s disease; AChEs; BChE; BACE1; docking study, Molecular dynamics simulations
Online: 13 February 2024 (10:43:07 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/preprints202408.1713.v1
Subject:
Biology And Life Sciences,
Biophysics
Keywords:
Inter-molecular Binding Affinity; Synthetic Data Augmentation; Computational Biomolecule Design and Discovery; Site-specific mutation; Structural biophysics
Online: 23 August 2024 (10:10:20 CEST)
ARTICLE
|
doi:10.20944/preprints202302.0191.v1
Subject:
Biology And Life Sciences,
Biochemistry And Molecular Biology
Keywords:
chicory; endive; RADseq; male-sterility; molecular breeding; SNPs; inbred lines; F1 hybrids; predicted breeding value
Online: 10 February 2023 (11:15:16 CET)
ARTICLE
|
doi:10.20944/preprints202306.0038.v1
Subject:
Medicine And Pharmacology,
Pharmacy
Keywords:
Lagenaria siceraria; In silico study; Drug design; Diabetes mellitus; Molecular docking; ADMET
Online: 1 June 2023 (05:41:13 CEST)
REVIEW
|
doi:10.20944/preprints202312.0387.v1
Subject:
Chemistry And Materials Science,
Medicinal Chemistry
Keywords:
big data; not-so-big data; molecular design; drug design; machine learning; artificial intelligence; descriptor; computer-generated descriptors; property; regression
Online: 6 December 2023 (10:19:02 CET)
ARTICLE
|
doi:10.20944/preprints202308.0141.v1
Subject:
Chemistry And Materials Science,
Materials Science And Technology
Keywords:
A549 lung cancer; nanoparticles; cell-penetration, drug affinity, dissociation constants; molecular docking; antibacterial; hydroxychloroquine
Online: 2 August 2023 (04:54:14 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/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)
ARTICLE
|
doi:10.20944/preprints202408.2012.v1
Subject:
Biology And Life Sciences,
Other
Keywords:
Herbacetin; (-)-Epicatechin; KATII inhibition; molecular docking; Molecular dynamic
Online: 28 August 2024 (09:37:19 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/preprints202408.1282.v1
Subject:
Biology And Life Sciences,
Biochemistry And Molecular Biology
Keywords:
Cataract; CRYGD; Molecular docking; Molecular dynamics; Crystallin; Protein aggregation
Online: 19 August 2024 (09:15:05 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/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
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)
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
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/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/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/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)
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/preprints202408.1263.v1
Subject:
Medicine And Pharmacology,
Cardiac And Cardiovascular Systems
Keywords:
Network pharmacology; Heat Stress; Myocardial damage; Shikimic acid; Molecular docking; Molecular dynamics simulation
Online: 19 August 2024 (09:22:32 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/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)
ARTICLE
|
doi:10.20944/preprints202307.0197.v1
Subject:
Chemistry And Materials Science,
Materials Science And Technology
Keywords:
molecular dynamics; polymorph; thermal decomposition
Online: 4 July 2023 (11:34:06 CEST)
ARTICLE
|
doi:10.20944/preprints202208.0049.v1
Subject:
Chemistry And Materials Science,
Physical Chemistry
Keywords:
molecular dynamis; spinels; water adsorption
Online: 2 August 2022 (08:18:40 CEST)
ARTICLE
|
doi:10.20944/preprints202111.0406.v1
Online: 22 November 2021 (14:22:59 CET)
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/preprints202103.0144.v2
Subject:
Biology And Life Sciences,
Anatomy And Physiology
Keywords:
bioluminescence; molecular evolution; photoproteins; photobiology
Online: 10 May 2021 (16:02:22 CEST)
ARTICLE
|
doi:10.20944/preprints201909.0111.v1
Subject:
Chemistry And Materials Science,
Materials Science And Technology
Keywords:
Li2MnO3; Molecular dynamics; diffusion; delithiation
Online: 10 September 2019 (15:41:27 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)
ARTICLE
|
doi:10.20944/preprints201808.0409.v3
Subject:
Biology And Life Sciences,
Animal Science, Veterinary Science And Zoology
Keywords:
bioinvasion; molecular markers; fanworm; biofouling
Online: 27 August 2018 (05:59:35 CEST)
ARTICLE
|
doi:10.20944/preprints202312.0845.v1
Subject:
Biology And Life Sciences,
Biophysics
Keywords:
oncogene promotor; c-MYC; G-quadruplex; thiazole peptide; molecular docking; molecular dynamics; MM/GBSA
Online: 13 December 2023 (10:55:36 CET)
ARTICLE
|
doi:10.20944/preprints202309.1917.v1
Subject:
Medicine And Pharmacology,
Pharmacology And Toxicology
Keywords:
Mycobacterium; Antibiotic resistance; Drug re-purposing; MbtA; Siderophores; Molecular Docking; Molecular Dynamics; PCA analysis
Online: 28 September 2023 (13:28:39 CEST)
ARTICLE
|
doi:10.20944/preprints202308.1143.v1
Subject:
Chemistry And Materials Science,
Surfaces, Coatings And Films
Keywords:
photoisomerization; azobenzene; conjugated oligomer; molecular switch; chemisorbed monolayer; charge transfer; molecular modeling; organic electronics
Online: 16 August 2023 (10:28:19 CEST)
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/preprints201912.0083.v1
Subject:
Biology And Life Sciences,
Biochemistry And Molecular Biology
Keywords:
hydrogenases; hydrogen fuel cells; homology modeling; fes clusters; transmembrane helices; molecular docking; molecular tunnels
Online: 6 December 2019 (11:47:06 CET)
ARTICLE
Subject:
Computer Science And Mathematics,
Mathematical And Computational Biology
Keywords:
c-src-tyrosine kinase; QSAR; molecular descriptors; virtual screening; drug discovery; cancer; molecular docking
Online: 25 October 2019 (11:21:43 CEST)
ARTICLE
|
doi:10.20944/preprints202404.1963.v1
Subject:
Medicine And Pharmacology,
Oncology And Oncogenics
Keywords:
sarcoma; soft tissue sarcoma; bone sarcoma; diagnostics; pathology; molecular test; molecular methods; next-generation sequencing
Online: 30 April 2024 (07:46:23 CEST)
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/preprints202311.1727.v3
Subject:
Chemistry And Materials Science,
Medicinal Chemistry
Keywords:
Alendronate; COVID-19; Minodronate; MM-GBSA; Molecular docking; Molecular dynamics; RdRp; SARS-CoV-2; Virtual screening; Zoledronate
Online: 26 February 2024 (13:51:28 CET)
ARTICLE
|
doi:10.20944/preprints202304.0619.v1
Subject:
Medicine And Pharmacology,
Medicine And Pharmacology
Keywords:
wound healing; natural compound; excisional mouse model; molecular docking; dynamic molecular; caryophyllene; cytokines; digital histology
Online: 20 April 2023 (07:42:54 CEST)
REVIEW
|
doi:10.20944/preprints202208.0220.v1
Subject:
Medicine And Pharmacology,
Oncology And Oncogenics
Keywords:
Molecular switches; oncolytic vectors; patient-specific ubiquitous mutations; targeted therapy; multi-region sequencing; molecular biology
Online: 11 August 2022 (11:50:12 CEST)
REVIEW
|
doi:10.20944/preprints202206.0402.v1
Subject:
Biology And Life Sciences,
Biology And Biotechnology
Keywords:
Bacillus nattokinase; Physiological and biochemical characteristics; Molecular structure; Molecular modifcation; Functional food and clinical application
Online: 29 June 2022 (09:39:07 CEST)
REVIEW
|
doi:10.20944/preprints202202.0154.v1
Subject:
Chemistry And Materials Science,
Theoretical Chemistry
Keywords:
computational chemistry; fragment screening; MD; MIP; molecular dynamics; molecular imprinting; molecularly imprinted polymer; simulation; template
Online: 10 February 2022 (14:37:50 CET)
ARTICLE
|
doi:10.20944/preprints202108.0359.v2
Subject:
Chemistry And Materials Science,
Medicinal Chemistry
Keywords:
1, 2, 4-Triazine; Lanosterol 14a-demethylase (CYP51); Drug Resistance; Molecular Docking; Molecular Dynamic Simulation.
Online: 17 August 2021 (12:27:02 CEST)
ARTICLE
|
doi:10.20944/preprints202408.1983.v1
Subject:
Biology And Life Sciences,
Biology And Biotechnology
Keywords:
P3HB; molecular weight; Phasins; Azotobacter vinelandii
Online: 28 August 2024 (09:32:04 CEST)
BRIEF REPORT
|
doi:10.20944/preprints202408.0877.v1
Subject:
Public Health And Healthcare,
Physical Therapy, Sports Therapy And Rehabilitation
Keywords:
anterior cruciate ligament; molecular biology; rehabilitation
Online: 13 August 2024 (08:48:04 CEST)
COMMUNICATION
|
doi:10.20944/preprints202407.0909.v1
Subject:
Chemistry And Materials Science,
Medicinal Chemistry
Keywords:
Indoles; sulfonamides; Molecular docking; Tyrosinase; Antioxidant
Online: 11 July 2024 (12:41:11 CEST)
ARTICLE
|
doi:10.20944/preprints202405.0512.v1
Subject:
Biology And Life Sciences,
Biochemistry And Molecular Biology
Keywords:
Methylation analysis; Molecular modelling; IDH2 mutation,
Online: 8 May 2024 (15:31:32 CEST)
ARTICLE
|
doi:10.20944/preprints202404.0052.v1
Subject:
Chemistry And Materials Science,
Theoretical Chemistry
Keywords:
Herbicides; auxins; molecular dynamics; machine learning
Online: 1 April 2024 (12:43:09 CEST)
ARTICLE
|
doi:10.20944/preprints202403.1840.v1
Subject:
Medicine And Pharmacology,
Medicine And Pharmacology
Keywords:
antimicrobial activity; Salix alba; molecular docking
Online: 29 March 2024 (10:39:03 CET)
ARTICLE
|
doi:10.20944/preprints202403.1653.v1
Subject:
Biology And Life Sciences,
Ecology, Evolution, Behavior And Systematics
Keywords:
taxonomy; molecular phylogeny; nomenclature; new species
Online: 27 March 2024 (08:08:58 CET)
REVIEW
|
doi:10.20944/preprints202402.1682.v1
Subject:
Chemistry And Materials Science,
Materials Science And Technology
Keywords:
biopolymers; Molecular Dynamics Simulations; polymeric materials
Online: 29 February 2024 (11:39:32 CET)
ARTICLE
|
doi:10.20944/preprints202312.1709.v1
Subject:
Medicine And Pharmacology,
Pharmacology And Toxicology
Keywords:
Harmaline; hClpP activation; DIPG; Molecular modeling
Online: 22 December 2023 (11:39:39 CET)