ARTICLE
|
doi:10.20944/preprints202011.0717.v1
Subject:
Medicine And Pharmacology,
Immunology And Allergy
Keywords:
OYST; molecular characteristics; targetable mutation; patients’ outcome
Online: 30 November 2020 (11:06:47 CET)
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/preprints202405.1456.v1
Subject:
Public Health And Healthcare,
Public Health And Health Services
Keywords:
Rotavirus, Children, diarrhoea, viral infections, Molecular characterisation.
Online: 22 May 2024 (14:26:14 CEST)
ARTICLE
|
doi:10.20944/preprints202305.1634.v1
Subject:
Biology And Life Sciences,
Agricultural Science And Agronomy
Keywords:
genetic resources; molecular markers; local cultivar; certification
Online: 23 May 2023 (09:55:00 CEST)
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)
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/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/preprints202310.0253.v1
Subject:
Biology And Life Sciences,
Biology And Biotechnology
Keywords:
Bacillus; 16S rRNA; molecular characterization; rhizosphere; biocontroller
Online: 5 October 2023 (07:54:35 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)
Subject:
Biology And Life Sciences,
Immunology And Microbiology
Keywords:
cathepsins; cancer; characterization; cysteine; Escherichia coli; expression; molecular
Online: 27 November 2019 (11:09:52 CET)
COMMUNICATION
|
doi:10.20944/preprints202402.1609.v1
Subject:
Biology And Life Sciences,
Virology
Keywords:
HFMD; coxsackievirus A6; molecular epidemiology; phylogenetic tree
Online: 28 February 2024 (08:10:37 CET)
ARTICLE
|
doi:10.20944/preprints201907.0233.v1
Subject:
Biology And Life Sciences,
Biochemistry And Molecular Biology
Keywords:
transcription factor; protein; DNA; protein-nucleic acid cross-linking; quantitative cross-linking; transplatin; trans-dichlorodiamineplatinum(II); hydrogen-deuterium exchange; FOXO4; molecular modeling; molecular docking
Online: 22 July 2019 (08:03:27 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)
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)
COMMUNICATION
|
doi:10.20944/preprints202112.0270.v1
Subject:
Biology And Life Sciences,
Virology
Keywords:
Dengue; Dengue virus; cosmopolitan genotype; Senegal; Mauritania; Molecular characterization; Full genome sequencing
Online: 16 December 2021 (12:06:07 CET)
ARTICLE
|
doi:10.20944/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)
CASE REPORT
|
doi:10.20944/preprints202012.0548.v1
Subject:
Medicine And Pharmacology,
Immunology And Allergy
Keywords:
next-generation sequencing; hereditary breast cancer; Homologous Recombination Repair; hereditary cancer syndrome; Clinical genomics; Molecular diagnostics
Online: 22 December 2020 (10:17:48 CET)
ARTICLE
|
doi:10.20944/preprints202409.1983.v1
Subject:
Biology And Life Sciences,
Biology And Biotechnology
Keywords:
Indigenous cattle; semen cryopreservation; IVP; molecular marker
Online: 25 September 2024 (12:08:13 CEST)
ARTICLE
|
doi:10.20944/preprints202310.0464.v1
Subject:
Biology And Life Sciences,
Animal Science, Veterinary Science And Zoology
Keywords:
Sracocystis cruzi; Sarcocystis poephagicanis; cattle; yak; morphological and molecular characterization
Online: 9 October 2023 (10:36:54 CEST)
ARTICLE
|
doi:10.20944/preprints202312.0388.v1
Subject:
Biology And Life Sciences,
Biochemistry And Molecular Biology
Keywords:
molecular plant-nematode interaction; parasitism; pinewood nematode; ShK domain-containing protein; oxidative stress
Online: 6 December 2023 (10:32:06 CET)
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/preprints202406.0971.v1
Subject:
Biology And Life Sciences,
Virology
Keywords:
HBV; molecular epidemiology; genotypes; phylogenetic analysis; immigration
Online: 14 June 2024 (11:08:05 CEST)
ARTICLE
|
doi:10.20944/preprints202311.1849.v1
Subject:
Chemistry And Materials Science,
Biomaterials
Keywords:
antioxidant activity; biotechnology; functional groups; hydrolysate; microbial population; molecular weight; gelatin
Online: 29 November 2023 (11:01:37 CET)
ARTICLE
Subject:
Biology And Life Sciences,
Agricultural Science And Agronomy
Keywords:
rice; yield; HYV; Tongil; indica; japonica; SNP; molecular breeding
Online: 12 May 2020 (05:56:38 CEST)
ARTICLE
|
doi:10.20944/preprints202304.0722.v1
Subject:
Computer Science And Mathematics,
Analysis
Keywords:
Herz-type Besov-Morrey spaces; Herz-type Triebel-Lizorkin-Morrey spaces; ball mean of differences; atomic and molecular decomposition; wavelet decomposition
Online: 21 April 2023 (10:43:57 CEST)
REVIEW
|
doi:10.20944/preprints202209.0238.v1
Subject:
Biology And Life Sciences,
Biochemistry And Molecular Biology
Keywords:
Free-living amoebas; FLA; genotypes; molecular epidemiology; Genomic epidemiology; Balamuthia mandrillaris; Naegleria fowleri; Acanthamoeba spp.; Vermamoeba vermiformis; Sappinia pedata
Online: 16 September 2022 (07:09:01 CEST)
ARTICLE
|
doi:10.20944/preprints202305.0648.v1
Subject:
Medicine And Pharmacology,
Epidemiology And Infectious Diseases
Keywords:
carbapenem-resistant Klebsiella pneumoniae; whole genome sequencing; core genome single-nucleotide polymorphism analysis; molecular epidemiology
Online: 9 May 2023 (11:57:43 CEST)
ARTICLE
|
doi:10.20944/preprints202212.0329.v1
Subject:
Chemistry And Materials Science,
Inorganic And Nuclear Chemistry
Keywords:
Mixed-Ligands; DFT Calculations; HOMO; LUMO; Antimicrobial; Antioxidant Assays; and Molecular Docking Analysis
Online: 19 December 2022 (07:43:08 CET)
ARTICLE
|
doi:10.20944/preprints202312.1302.v1
Subject:
Biology And Life Sciences,
Biochemistry And Molecular Biology
Keywords:
SLC15 family; SLC15A4; PHT1; solid supported membrane electrophysiology (SSME); functional characterization; substrate selectivity; pH dependence; molecular docking
Online: 18 December 2023 (13:29:59 CET)
ARTICLE
|
doi:10.20944/preprints202105.0039.v1
Subject:
Chemistry And Materials Science,
Analytical Chemistry
Keywords:
antifungal activity; Candida albicans; antibiofilm effect; mode of action; cytotoxicity; hemolytic assay; HOMO-LUMO; molecular electrostatic potential
Online: 5 May 2021 (12:04:01 CEST)
ARTICLE
|
doi:10.20944/preprints201802.0138.v1
Subject:
Biology And Life Sciences,
Biophysics
Keywords:
molecular dynamics simulation; RNA-binding; rev protein; rev response element (RRE); HIV-virus.
Online: 21 February 2018 (16:57:27 CET)
ARTICLE
|
doi:10.20944/preprints202108.0313.v1
Subject:
Biology And Life Sciences,
Immunology And Microbiology
Keywords:
Pecorino di Farindola cheese; lactic acid bacteria (LAB); molecular characterization; Lacticaseibacillus paracasei selected culture; cheese making trial
Online: 16 August 2021 (08:47:09 CEST)
ARTICLE
|
doi:10.20944/preprints202405.1510.v1
Subject:
Chemistry And Materials Science,
Organic Chemistry
Keywords:
free base porphyrin; isonicotinic acid; X-ray molecular structure; UV-visible; fluorescence; antioxidant activity; antifungal activity; allelopathic activity
Online: 23 May 2024 (12:30:45 CEST)
ARTICLE
|
doi:10.20944/preprints202003.0172.v1
Subject:
Physical Sciences,
Astronomy And Astrophysics
Keywords:
molecular biosignatures; Mars; UV irradiation; infrared spectroscopy; life detection
Online: 10 March 2020 (14:10:19 CET)
ARTICLE
|
doi:10.20944/preprints202306.0385.v1
Subject:
Chemistry And Materials Science,
Medicinal Chemistry
Keywords:
acetaminophen; 1,4-disubstituted 1,2,3-triazoles; molecular hybrids; azide-alkyne cycloaddition; Huisgen reaction; Cu(PPh3)3Br catalyst; click chemistry
Online: 6 June 2023 (05:36:48 CEST)
ARTICLE
|
doi:10.20944/preprints202409.0437.v1
Subject:
Chemistry And Materials Science,
Medicinal Chemistry
Keywords:
Molecular docking; Molecular dynamics; Toxicity; ADMET; Matched molecular pairs
Online: 5 September 2024 (12:36:13 CEST)
ARTICLE
|
doi:10.20944/preprints202309.1706.v1
Subject:
Chemistry And Materials Science,
Medicinal Chemistry
Keywords:
isoxazolidine derivatives; 1,3-dipolar cycloaddition; α-aryl-N-methyl nitrones; Density Functional Theory (DFT); Electron Localization Function (ELF); CDFT indices; docking; molecular dynamics; EGFR; binding energy
Online: 26 September 2023 (04:37:56 CEST)
ARTICLE
|
doi:10.20944/preprints202408.1839.v1
Subject:
Public Health And Healthcare,
Public Health And Health Services
Keywords:
Influenza-like illness; acute respiratory infection; molecular diagnosis; RT-qPCR; epidemiological surveillance; public health; quantitative polymerase chain reaction
Online: 26 August 2024 (13:12:59 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/preprints202409.0586.v1
Subject:
Medicine And Pharmacology,
Medicine And Pharmacology
Keywords:
antimicrobial peptides; cardiovascular disease; molecular docking; molecular dynamics
Online: 9 September 2024 (09:17:15 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
|
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
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/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/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
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)