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/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/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/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/preprints202009.0689.v1
Subject:
Chemistry And Materials Science,
Analytical Chemistry
Keywords:
Molecular docking; α-Pyrone; antileukemic; CRM1inhibitors
Online: 28 September 2020 (15:35:00 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/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)
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/preprints201912.0247.v1
Subject:
Biology And Life Sciences,
Biochemistry And Molecular Biology
Keywords:
anthrax; lead compounds; molecular dynamics; docking
Online: 19 December 2019 (07:06:38 CET)
ARTICLE
|
doi:10.20944/preprints202404.1825.v1
Subject:
Biochemistry And Molecular Biology,
Biology And Life Sciences
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/preprints202103.0062.v1
Subject:
Medicine And Pharmacology,
Gastroenterology And Hepatology
Keywords:
Xanthohumol; Colon cancer; Molecular docking, DFT, ADMET
Online: 2 March 2021 (09:51:01 CET)
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/preprints202012.0013.v1
Subject:
Chemistry And Materials Science,
Analytical Chemistry
Keywords:
Thermolysin; Antibacterial agents; Docking; Molecular dynamics; MM-PBSA, ADME-Tox.
Online: 1 December 2020 (10:48:09 CET)
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/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/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
|
doi:10.20944/preprints201909.0130.v1
Subject:
Chemistry And Materials Science,
Medicinal Chemistry
Keywords:
Synthesis; triazinoindole; thiosemicarbazide; alpha-glucosidase; molecular docking study; SAR
Online: 13 September 2019 (10:54:30 CEST)
ARTICLE
|
doi:10.20944/preprints201911.0375.v1
Subject:
Chemistry And Materials Science,
Medicinal Chemistry
Keywords:
synthesis; 2-mercaptabezimidazole; sulfonamide; molecular docking study; α-amylase; sa
Online: 29 November 2019 (10:28:22 CET)
ARTICLE
|
doi:10.20944/preprints202108.0403.v1
Subject:
Engineering,
Bioengineering
Keywords:
Phytocompounds; Binding energy; ADMET; Molecular docking
Online: 19 August 2021 (12:05:34 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)
ARTICLE
Subject:
Biology And Life Sciences,
Biochemistry And Molecular Biology
Keywords:
Aurora-A; Molecular dynamics simulation; Activation loop; Conformational dynamics
Online: 25 February 2021 (11:20:09 CET)
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)
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
|
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)
REVIEW
|
doi:10.20944/preprints202308.1518.v1
Subject:
Medicine And Pharmacology,
Medicine And Pharmacology
Keywords:
SARS-CoV-2; main protease; inhibitors; molecular modeling; molecular dynamics simulations; binding energy calculation; ADME properties; potential therapeutics; drug discovery
Online: 22 August 2023 (07:19:37 CEST)
ARTICLE
|
doi:10.20944/preprints202403.0717.v1
Subject:
Biology And Life Sciences,
Animal Science, Veterinary Science And Zoology
Keywords:
Lumpy skin disease; DNA polymerase; potential inhibitors; phytocompounds; antiviral drug compounds; molecular docking
Online: 13 March 2024 (07:58:39 CET)
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/preprints202306.0032.v1
Subject:
Biology And Life Sciences,
Biophysics
Keywords:
BACE1; Alzheimer's disease; molecular dynamics simulations, SIE; MM-GBSA
Online: 1 June 2023 (04:57:06 CEST)
ARTICLE
|
doi:10.20944/preprints202205.0349.v1
Subject:
Biology And Life Sciences,
Anatomy And Physiology
Keywords:
Docking; lead discovery; molecular dynamic simulation; tuberculosis; coupled assay
Online: 25 May 2022 (10:11:26 CEST)
ARTICLE
|
doi:10.20944/preprints201905.0046.v1
Subject:
Chemistry And Materials Science,
Medicinal Chemistry
Keywords:
aminopeptidases; inhibitors; aminophosphonate; phenylglycine analogues; fluorine substituted; molecular modeling
Online: 6 May 2019 (10:16:45 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)
ARTICLE
|
doi:10.20944/preprints202012.0797.v1
Subject:
Medicine And Pharmacology,
Oncology And Oncogenics
Keywords:
KRAS-mutant lung adenocarcinoma; E571K exportin-1; Taxifolin; Molecular modelling
Online: 31 December 2020 (12:25:13 CET)
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/preprints202405.0035.v1
Subject:
Medicinal Chemistry,
Chemistry And Materials Science
Keywords:
Mycobacterial Polyketide Synthase; QSAR; Multiple Linear Regression; Docking; Molecular Dynamics Simulations
Online: 1 May 2024 (16:46:55 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)
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/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/preprints202109.0375.v1
Subject:
Biology And Life Sciences,
Biochemistry And Molecular Biology
Keywords:
HIV-protease inhibitors; pseudo-symmetric core; heteroaryl carboxyamides; synthesis; biological screening; molecular modeling
Online: 22 September 2021 (10:44:16 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/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/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)
ARTICLE
|
doi:10.20944/preprints201805.0085.v1
Subject:
Chemistry And Materials Science,
Medicinal Chemistry
Keywords:
7-acetamido-2-aryl-5-bromoindoles; trifluoroacetylation; cytotoxicity; apoptosis; tubulin polymerization; molecular docking
Online: 4 May 2018 (07:47:06 CEST)
ARTICLE
|
doi:10.20944/preprints202202.0349.v1
Subject:
Medicine And Pharmacology,
Pharmacology And Toxicology
Keywords:
Hypoxia-inducible factor; cancer; hypoxia; drug discovery; medicinal chemistry; virtual screening; molecular dynamics simulation; MM-PBSA; Drug discovery
Online: 28 February 2022 (08:40:24 CET)
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)
REVIEW
|
doi:10.20944/preprints202403.0081.v1
Subject:
Medicine And Pharmacology,
Medicine And Pharmacology
Keywords:
Arbidol; Toremifene; Entry Inhibitor; Fusion Inhibitor; Spike-dependent; SARS CoV-2; S2 segment; S2 subunit; Surface Plasmon Resonance; Molecular Docking
Online: 4 March 2024 (09:35:27 CET)
ARTICLE
|
doi:10.20944/preprints202105.0348.v1
Subject:
Biology And Life Sciences,
Parasitology
Keywords:
Pistacia atlantica leaves; L. infantum; L. major; promastigote; antileishmanial; Masticadienonic acid, 3-Methoxycarpachromene; molecular docking.
Online: 14 May 2021 (15:36:40 CEST)
ARTICLE
|
doi:10.20944/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/preprints201811.0334.v1
Subject:
Biology And Life Sciences,
Biochemistry And Molecular Biology
Keywords:
human African trypanosomiasis; pteridine reductase 1; PTR1; DHFR; antifolates; anti-trypanosomal agents; molecular dynamics; dynamic residue network analysis; binding free energy; isobologram assay
Online: 14 November 2018 (10:39:01 CET)
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/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/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/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)
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/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
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/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/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/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)
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/preprints202309.1199.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/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
|
doi:10.20944/preprints202404.1963.v1
Subject:
Oncology And Oncogenics,
Medicine And Pharmacology
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/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)