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/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)
REVIEW
|
doi:10.20944/preprints202305.1855.v1
Subject:
Medicine And Pharmacology,
Pulmonary And Respiratory Medicine
Keywords:
sarcoidosis; advanced pulmonary fibrosis; signaling; molecular pathway
Online: 26 May 2023 (04:55:01 CEST)
ARTICLE
|
doi:10.20944/preprints202306.0648.v1
Subject:
Biology And Life Sciences,
Biochemistry And Molecular Biology
Keywords:
SARS-CoV-2 ORF6 – RAE1 binding; 3D molecular structure modelling; molecular dynamics simulations; cell cycle, cyclin E; R-loops; DNA replication stress
Online: 8 June 2023 (13:52:38 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/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/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/preprints202005.0186.v1
Subject:
Biology And Life Sciences,
Anatomy And Physiology
Keywords:
Coronavirus disease 2019; SARS-CoV-2; ACE2; RBD; Molecular modelling
Online: 11 May 2020 (04:08:26 CEST)
REVIEW
|
doi:10.20944/preprints202308.1723.v1
Subject:
Biology And Life Sciences,
Plant Sciences
Keywords:
rapeseed; nitrogen; yield; oil content; molecular mechanisms
Online: 24 August 2023 (07:24:14 CEST)
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/preprints202311.0509.v1
Subject:
Medicine And Pharmacology,
Medicine And Pharmacology
Keywords:
CFTR; cystic fibrosis; cystic fibrosis transmembrane conductance regulator; docking; molecular dynamics; curcumin; CFTR modulators
Online: 8 November 2023 (04:12:50 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/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/preprints202302.0059.v1
Subject:
Biology And Life Sciences,
Biophysics
Keywords:
hSERT; comprehensive molecular dynamics (MD) simulation; drug design; MM/GBSA
Online: 3 February 2023 (06:16:06 CET)
ARTICLE
|
doi:10.20944/preprints202403.1066.v1
Subject:
Biology And Life Sciences,
Plant Sciences
Keywords:
molecular docking; enzyme inhibitor; herbicides; shikimate pathway; virtual screening
Online: 19 March 2024 (09:48:15 CET)
REVIEW
|
doi:10.20944/preprints202403.0198.v1
Subject:
Biology And Life Sciences,
Life Sciences
Keywords:
intrahepatic cholangiocarcinoma; pathology; diagnosis; molecular genetics; classification
Online: 5 March 2024 (09:20:45 CET)
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/preprints201810.0409.v1
Subject:
Physical Sciences,
Condensed Matter Physics
Keywords:
molecular dynamics; crystal growth; Avrami coefficients; Pt-Pd alloy
Online: 18 October 2018 (10:02:21 CEST)
ARTICLE
|
doi:10.20944/preprints202404.1356.v1
Subject:
Electrochemistry,
Chemistry And Materials Science
Keywords:
Lithium Metal Battery; Electrolyte Solvation Structure; Battery Interphase; LiDFTFSI; Hybrid Molecular Dynamics
Online: 19 April 2024 (15:23:37 CEST)
ARTICLE
|
doi:10.20944/preprints202402.1055.v1
Subject:
Biology And Life Sciences,
Agricultural Science And Agronomy
Keywords:
common wheat; powdery mildew; molecular marker; genetic population
Online: 20 February 2024 (04:32:10 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)
ARTICLE
|
doi:10.20944/preprints202402.1140.v2
Subject:
Medicine And Pharmacology,
Other
Keywords:
neurofibromatosis type 1; cone-rod dystrophy; molecular diagnosis; rare association
Online: 12 April 2024 (14:32:30 CEST)
ARTICLE
|
doi:10.20944/preprints202003.0470.v1
Subject:
Biology And Life Sciences,
Immunology And Microbiology
Keywords:
EthA; ethionamide resistance; BVMO; molecular dynamics; thermodynamic integration
Online: 31 March 2020 (23:21:53 CEST)
ARTICLE
|
doi:10.20944/preprints202003.0267.v1
Subject:
Chemistry And Materials Science,
Physical Chemistry
Keywords:
COVID-19; SARS-CoV-2; RNA-dependent RNA polymerase (RdRp); remdesivir; homology model; molecular dynamics; free energy perturbation
Online: 17 March 2020 (04:07:15 CET)
ARTICLE
|
doi:10.20944/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/preprints202402.1735.v1
Subject:
Medicine And Pharmacology,
Gastroenterology And Hepatology
Keywords:
MASLD; liver; onion; nutraceutics; in silico research; molecular docking.
Online: 29 February 2024 (12:02:44 CET)
ARTICLE
|
doi:10.20944/preprints201611.0021.v1
Subject:
Chemistry And Materials Science,
Other
Keywords:
molecular imprinting technique; bilirubin; QCM; PHEMA; nanosensor
Online: 2 November 2016 (17:34:43 CET)
ARTICLE
|
doi:10.20944/preprints202109.0333.v1
Subject:
Biology And Life Sciences,
Biophysics
Keywords:
small RNA Oxys; RNA chaperone Hfq protein; gene expression regulator; molecular dynamics simulations; binding free energy; interaction entropy
Online: 20 September 2021 (12:47:28 CEST)
ARTICLE
|
doi:10.20944/preprints201607.0050.v1
Subject:
Engineering,
Mechanical Engineering
Keywords:
Nanochannel; Molecular Dynamics Method; Nanoparticle, Argon; Boiling Process
Online: 18 July 2016 (10:37:40 CEST)
ARTICLE
|
doi:10.20944/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/preprints201612.0089.v1
Subject:
Biology And Life Sciences,
Biochemistry And Molecular Biology
Keywords:
origin of life; selection; accumulation; prebiotic chemistry; molecular evolution; vesicles
Online: 16 December 2016 (08:46:10 CET)
ARTICLE
|
doi:10.20944/preprints202007.0558.v2
Subject:
Chemistry And Materials Science,
Medicinal Chemistry
Keywords:
COVID-19; protein protein interactions; virtual screening; docking; molecular dynamics; zinc
Online: 2 September 2020 (09:48:48 CEST)
REVIEW
|
doi:10.20944/preprints202402.1436.v1
Subject:
Biology And Life Sciences,
Biochemistry And Molecular Biology
Keywords:
skeletal muscle; regeneration; molecular acupuncture; SERCA; Ras; in vivo transfection
Online: 26 February 2024 (11:54:10 CET)
ARTICLE
|
doi:10.20944/preprints202403.1191.v1
Subject:
Chemistry And Materials Science,
Theoretical Chemistry
Keywords:
Molecular Dynamics; self-assembly; depolymerization; demicellization; cargo release.; spherical brushes
Online: 20 March 2024 (12:18:14 CET)
REVIEW
|
doi:10.20944/preprints202403.1612.v1
Subject:
Biology And Life Sciences,
Virology
Keywords:
rotavirus; viroplasm; cytoskeleton; microtubule; actin; molecular motors; lipid droplets; NSP5; NSP2; VP2; VP4
Online: 27 March 2024 (06:12:36 CET)
ARTICLE
|
doi:10.20944/preprints202404.0302.v1
Subject:
Chemistry And Materials Science,
Biomaterials
Keywords:
biomaterials; chitosan; silk fibroin; molecular dynamics; intermolecular interactions; hydrogen bonds
Online: 3 April 2024 (14:02:27 CEST)
ARTICLE
|
doi:10.20944/preprints202404.0473.v1
Subject:
Biology And Life Sciences,
Ecology, Evolution, Behavior And Systematics
Keywords:
Glomeromycota; molecular phylogeny; ribosomal variants; taxonomy; two new Glomus species
Online: 7 April 2024 (10:53:45 CEST)
ARTICLE
|
doi:10.20944/preprints201612.0094.v1
Subject:
Chemistry And Materials Science,
Applied Chemistry
Keywords:
bulk crystal mesoporous MCM-41; heteroatom molecular sieves; direct hydrothermal method
Online: 18 December 2016 (10:30:52 CET)
ARTICLE
|
doi:10.20944/preprints202404.1117.v1
Subject:
Biology And Life Sciences,
Parasitology
Keywords:
globospiramine; bisindole alkaloid; Voacanga globosa; Candida albicans; Candida tropicalis; molecular docking; molecular dynamics; antifungal; apoptosis
Online: 17 April 2024 (08:30:56 CEST)
ARTICLE
|
doi:10.20944/preprints202402.1092.v1
Subject:
Biology And Life Sciences,
Animal Science, Veterinary Science And Zoology
Keywords:
Capnocytophaga canimorsus; Capnocytophaga cynodegmi; Capnocytophaga spp.; dog; molecular diagnostic
Online: 20 February 2024 (08:51:15 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/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/preprints202403.1884.v1
Subject:
Medicine And Pharmacology,
Medicine And Pharmacology
Keywords:
Natural products; Molecular Docking, Antiviral Activity; SARS-CoV-2; Cell Proliferation Inhibition
Online: 1 April 2024 (11:54:06 CEST)
REVIEW
|
doi:10.20944/preprints201809.0236.v1
Subject:
Biology And Life Sciences,
Biophysics
Keywords:
molecular dynamics simulation; rare event; string method; multiscale enhanced sampling; weighted ensemble; multidrug transporter; Onsager-Machlup action
Online: 13 September 2018 (12:01:39 CEST)
ARTICLE
|
doi:10.20944/preprints202404.0069.v1
Subject:
Chemistry And Materials Science,
Chemical Engineering
Keywords:
Triblock Copolymer; Micelle; Vesicle; Polymersome; Molecular Dynamics; Information Entropy; Nanomedicine; Biomimetic
Online: 2 April 2024 (02:33:10 CEST)
REVIEW
|
doi:10.20944/preprints202109.0123.v1
Subject:
Medicine And Pharmacology,
Oncology And Oncogenics
Keywords:
Genistein; Estrogen receptor; BRCA-1; Cell cycle; Tumor suppressor gene; Molecular pharmacology; Synergistic activity.
Online: 7 September 2021 (11:59:15 CEST)
ARTICLE
|
doi:10.20944/preprints202304.0601.v1
Subject:
Biology And Life Sciences,
Biochemistry And Molecular Biology
Keywords:
FTSJ1; methyltransferase; tRNA; readthrough; stop codon mutation; small molecules; docking; molecular dynamics; MM-GBSA
Online: 20 April 2023 (03:21:07 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)
REVIEW
|
doi:10.20944/preprints202403.0621.v1
Subject:
Chemistry And Materials Science,
Physical Chemistry
Keywords:
waste plastics; polyolefin; catalyst; thermal cracking; molecular sieve; fuel oil
Online: 11 March 2024 (13:28:39 CET)
REVIEW
|
doi:10.20944/preprints202403.1765.v1
Subject:
Biology And Life Sciences,
Ecology, Evolution, Behavior And Systematics
Keywords:
genetic conflict; selfish element; molecular mimicry; horizontal gene transfer; convergent evolution
Online: 28 March 2024 (13:31:51 CET)
REVIEW
|
doi:10.20944/preprints202403.1614.v1
Subject:
Biology And Life Sciences,
Immunology And Microbiology
Keywords:
molecular pathways; oncolytic virus; pattern recognition receptors; transcription factors
Online: 26 March 2024 (16:57:15 CET)
ARTICLE
|
doi:10.20944/preprints202403.0474.v1
Subject:
Medicine And Pharmacology,
Obstetrics And Gynaecology
Keywords:
endometrial cancer; deep learning; artificial intelligence; biomarker; mismatch repair; molecular classification; whole slide imaging; digital pathology
Online: 8 March 2024 (09:24:54 CET)
ARTICLE
|
doi:10.20944/preprints202403.0789.v1
Subject:
Biology And Life Sciences,
Animal Science, Veterinary Science And Zoology
Keywords:
Apis mellifera; Carpoglyphus lactis; Cytochrome c oxidase subunit 1 (COI) gene; Molecular identification; Republic of Korea
Online: 13 March 2024 (16:10:18 CET)
ARTICLE
|
doi:10.20944/preprints202404.0885.v1
Subject:
Biology And Life Sciences,
Toxicology
Keywords:
aluminium diethylphosphinate; microplastics; organic pollutants; behavioural endpoints; molecular biomarkers
Online: 15 April 2024 (04:27:24 CEST)
ARTICLE
|
doi:10.20944/preprints202403.0693.v1
Subject:
Biology And Life Sciences,
Cell And Developmental Biology
Keywords:
miR-1; epigenetic regulator; cardiac sinoatrial region; molecular mechanisms; HDAC4; Calmodulin; pErk2/MAPK1; Mef2c activity; retinoic acid signaling; cardiac development
Online: 12 March 2024 (10:22:13 CET)
ARTICLE
|
doi:10.20944/preprints202403.0774.v1
Subject:
Chemistry And Materials Science,
Food Chemistry
Keywords:
Green extraction; Supramolecular solvent; Phenolic components; Molecular dynamic simulation; Confocal laser scanning microscopy; Prunella vulgaris.
Online: 13 March 2024 (10:02:17 CET)
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/preprints202402.1502.v1
Subject:
Biology And Life Sciences,
Life Sciences
Keywords:
protein crystallography; molecular tweezers; supramolecular chemistry; 14-3-3 proteins; P5CDH Pyrroline-5-carboxyl-dehydrogenase
Online: 27 February 2024 (14:16:29 CET)
ARTICLE
|
doi:10.20944/preprints202403.1766.v1
Subject:
Chemistry And Materials Science,
Organic Chemistry
Keywords:
Global electron density transfer; Molecular Electron Density Theory; Polar reactions; Interacting Quantum Atoms; Interacting Quantum Fragments.
Online: 28 March 2024 (14:20:44 CET)
ARTICLE
|
doi:10.20944/preprints202402.0801.v1
Subject:
Chemistry And Materials Science,
Physical Chemistry
Keywords:
Jahn-Teller effect; Helical spin density; Helical molecular orbital; Boron clusters
Online: 14 February 2024 (11:26:08 CET)
REVIEW
|
doi:10.20944/preprints202404.0917.v1
Subject:
Public Health And Healthcare,
Other
Keywords:
Diabetes mellitus; periodontitis; type 1 diabetes mellitus; molecular mechanisms; cellular mechanisms; oral microbiota; host immune response; oxidative stress; periodontal disease
Online: 15 April 2024 (07:26:10 CEST)
ARTICLE
|
doi:10.20944/preprints202403.1561.v1
Subject:
Chemistry And Materials Science,
Medicinal Chemistry
Keywords:
Docking, GABA-AT, QSAR, Epilepsy, Molecular Dynamics, synthesis and in vivo
Online: 26 March 2024 (11:27:30 CET)
ARTICLE
|
doi:10.20944/preprints201608.0198.v1
Subject:
Chemistry And Materials Science,
Theoretical Chemistry
Keywords:
huperzine A-AChE; molecular docking; intermolecular interaction; quantum chemical calculation; charge density distribution; atomic charges; dipole moment; electrostatic potential; toxicity analysis
Online: 23 August 2016 (12:33:27 CEST)
ARTICLE
|
doi:10.20944/preprints202403.0578.v1
Subject:
Chemistry And Materials Science,
Nanotechnology
Keywords:
Car– Parrinello molecular dynamics; graphene nanopores; hexagonal boron nitride nanopores; structure of water; partial ion dehydration; water desalination
Online: 11 March 2024 (18:12:33 CET)
ARTICLE
|
doi:10.20944/preprints201608.0118.v1
Subject:
Biology And Life Sciences,
Anatomy And Physiology
Keywords:
acclimation; coral reefs; endosymbiosis; molecular biology; multivariate statistics; temperature; upwelling
Online: 11 August 2016 (11:03:03 CEST)
ARTICLE
|
doi:10.20944/preprints202404.0469.v1
Subject:
Biology And Life Sciences,
Biophysics
Keywords:
Alzheimer’ s disease; amyloid β peptide; human serum albumin; low-molecular-weight ligand; protein-ligand interaction; surface plasmon resonance spectroscopy
Online: 7 April 2024 (10:18:10 CEST)
ARTICLE
|
doi:10.20944/preprints202402.1760.v1
Subject:
Biology And Life Sciences,
Food Science And Technology
Keywords:
straw mushroom; peptides from triple enzymatically hydrolyzed straw mushroom proteins; molecular docking; UPLC-Q-TOF-MS/MS; T1R1/T1R3
Online: 1 March 2024 (08:22:33 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)
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/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/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/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)
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/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/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/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
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/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
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/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/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
|
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)
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/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/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/preprints202403.0096.v1
Subject:
Medicine And Pharmacology,
Medicine And Pharmacology
Keywords:
Clofazimine; Arbidol; Toremifene; Fusion Inhibitor; Spike-dependent; SARS-CoV-2, S2 segment; S2 subunit; Nsp13 helicase; Surface Plasmon Resonance; Molecular Docking; CHARMM
Online: 4 March 2024 (10:43:07 CET)
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/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/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)
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
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/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/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/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/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/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/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)