ARTICLE
|
doi:10.20944/preprints201812.0173.v2
Subject:
Chemistry And Materials Science,
Organic Chemistry
Keywords:
2-(Adamantan-1-yl)-2H-isoindole-1-carbonitrile; X-ray diffraction; DFT; molecular orbital calculations; fluorescence; docking; nNOS; fluorescent ligand
Online: 14 December 2018 (11:41:20 CET)
ARTICLE
Subject:
Physical Sciences,
Acoustics
Keywords:
pyroelectricity; temperature modulation; molecular ferroelectrics; non-contact measurement; thermal diffusion model; lithium niobate
Online: 30 July 2021 (09:22:29 CEST)
ARTICLE
|
doi:10.20944/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/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/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/preprints202012.0671.v1
Subject:
Medicine And Pharmacology,
Immunology And Allergy
Keywords:
HPV; E7; variants; molecular dynamics simulation
Online: 25 December 2020 (16:05:04 CET)
REVIEW
|
doi:10.20944/preprints202402.0210.v1
Subject:
Biology And Life Sciences,
Biology And Biotechnology
Keywords:
sandworm; functional protein; molecular structure; thrombolytic agent; fibrinolytic enzyme
Online: 5 February 2024 (04:08:28 CET)
ARTICLE
|
doi:10.20944/preprints201805.0350.v1
Subject:
Biology And Life Sciences,
Biochemistry And Molecular Biology
Keywords:
abies beshanzuensis; ITS variation; structure; molecular phylogeny
Online: 24 May 2018 (10:40:55 CEST)
ARTICLE
|
doi:10.20944/preprints202312.2071.v1
Subject:
Biology And Life Sciences,
Plant Sciences
Keywords:
Bulbophyllum; chloroplast genome; molecular markers; phylogenetics analysis
Online: 28 December 2023 (02:11:10 CET)
ARTICLE
|
doi:10.20944/preprints202006.0015.v1
Subject:
Biology And Life Sciences,
Animal Science, Veterinary Science And Zoology
Keywords:
Bovine tuberculosis; molecular epidemiology; spatial; badgers; MLVA; Northern Ireland
Online: 3 June 2020 (09:38:28 CEST)
ARTICLE
|
doi:10.20944/preprints202301.0345.v1
Subject:
Biology And Life Sciences,
Biochemistry And Molecular Biology
Keywords:
Fabaceae; bioinformatics; molecular markers; neglected crop; genomics
Online: 19 January 2023 (03:57:25 CET)
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)
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
Subject:
Biology And Life Sciences,
Biochemistry And Molecular Biology
Keywords:
D-amino acids; homochirality; molecular modeling; secondary structure occupancy; stability
Online: 21 January 2021 (12:44:27 CET)
ARTICLE
|
doi:10.20944/preprints202306.1190.v1
Subject:
Chemistry And Materials Science,
Electronic, Optical And Magnetic Materials
Keywords:
phase-change materials; synchrotron diffraction; first-principles molecular dynamics
Online: 16 June 2023 (08:26:05 CEST)
ARTICLE
|
doi:10.20944/preprints202106.0162.v1
Subject:
Biology And Life Sciences,
Biochemistry And Molecular Biology
Keywords:
Amazon forest; capirona; molecular markers; genetic diversity; population structure
Online: 7 June 2021 (10:06:14 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/preprints202404.1678.v1
Subject:
Food Science And Technology,
Biology And Life Sciences
Keywords:
Hesperetin; Xanthine oxidase; Inhibition kinetics; Interaction mechanism; Multi-spectroscopy; Molecular docking
Online: 25 April 2024 (16:01:55 CEST)
COMMUNICATION
|
doi:10.20944/preprints202106.0238.v1
Subject:
Biology And Life Sciences,
Anatomy And Physiology
Keywords:
Immunoinformatics; Molecular dynamics simulation; mutation; SARS-CoV-2; Spike protein; Virus structure
Online: 8 June 2021 (13:57:03 CEST)
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/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)
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/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)
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/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/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/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/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/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/preprints201910.0177.v1
Subject:
Chemistry And Materials Science,
Electrochemistry
Keywords:
oxide ion conductivity; perovskite oxide; molecular dynamics simulation; ceramics electrolyte
Online: 16 October 2019 (04:55:22 CEST)
ARTICLE
|
doi:10.20944/preprints202212.0403.v1
Subject:
Biology And Life Sciences,
Biochemistry And Molecular Biology
Keywords:
Molecular evolution; Substitution matrix; Amino acid exchangeability; Models of sequence evolution; Protein evolution; Archaea; Bacteria
Online: 21 December 2022 (13:06:09 CET)
REVIEW
|
doi:10.20944/preprints202310.1723.v1
Subject:
Biology And Life Sciences,
Life Sciences
Keywords:
molecular tweezers; cation-pi interactions; intrinsic disorder, protein-protein interactions; hydrophobic interaction chromatography, monoclonal antibody production; protein aggregation; protein refolding; arginine methyltransferases; post-translational modification
Online: 27 October 2023 (05:51:26 CEST)
ARTICLE
|
doi:10.20944/preprints202310.1193.v1
Subject:
Chemistry And Materials Science,
Inorganic And Nuclear Chemistry
Keywords:
Racemic α-lipoic acid; zinc; metallcomplex, in silico, DFT calculation; molecular docking simulation; target proteins; diabetes
Online: 19 October 2023 (08:09:26 CEST)
ARTICLE
|
doi:10.20944/preprints202308.0975.v1
Subject:
Chemistry And Materials Science,
Inorganic And Nuclear Chemistry
Keywords:
Diaminopurine; Molecular recognition; supramolecular chemistry; Cu-chemistry; DFT calculations
Online: 14 August 2023 (04:17:50 CEST)
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)
REVIEW
|
doi:10.20944/preprints201912.0131.v1
Subject:
Biology And Life Sciences,
Biochemistry And Molecular Biology
Keywords:
single nucleotide polymorphism; docking; molecular dynamics; in-silico studies; protein dynamics; missense; prediction algorithm; mutation
Online: 10 December 2019 (07:56:43 CET)
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/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/preprints202105.0784.v1
Subject:
Chemistry And Materials Science,
Analytical Chemistry
Keywords:
Quinoline; Isoquinoline; G-Quadruplex ligands; k-RAS; c-MYC; telomere; SAR; pyri-dine-dicarboxamide; molecular dynamics
Online: 31 May 2021 (14:03:28 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/preprints202405.1510.v1
Subject:
Organic Chemistry,
Chemistry And Materials Science
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/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)
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/preprints202105.0293.v1
Subject:
Chemistry And Materials Science,
Biomaterials
Keywords:
mineralization; polyelectrolyte brushes; poly(amino acids); poly-(α,L-glutamic acid); poly-(α,L-aspartic acid); cellulose; molecular dynamics simulation.
Online: 13 May 2021 (13:09:40 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/preprints202306.0990.v1
Subject:
Chemistry And Materials Science,
Inorganic And Nuclear Chemistry
Keywords:
Copper(II); thiodiacetate chelate; synthetic adenine nucleoside; molecular and crystal structure; chelate-nucleoside recognition; water-mediated interligand interactions, physical properties; DFT calculations.
Online: 14 June 2023 (05:32:53 CEST)
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/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/preprints202403.0693.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/preprints202109.0503.v1
Subject:
Biology And Life Sciences,
Animal Science, Veterinary Science And Zoology
Keywords:
mitogenome; transmembrane proteins; substitution matrix; JTT matrix; molecular evolution; partitioned models; mixture models; RY coding; cyto-nuclear discordance
Online: 29 September 2021 (16:57:38 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/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/preprints202403.1614.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/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)
ARTICLE
|
doi:10.20944/preprints202404.2004.v1
Subject:
Biochemistry And Molecular Biology,
Biology And Life Sciences
Keywords:
wasp venom; Parkinson’ s disease; Alzheimer’ s disease; disaggregation effect; antiaggregation effect; docking molecular; dynamics molecular
Online: 1 May 2024 (04:02:02 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/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/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/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/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/preprints201902.0240.v1
Online: 26 February 2019 (12:38:17 CET)
ARTICLE
|
doi:10.20944/preprints201812.0121.v1
Subject:
Physical Sciences,
Atomic And Molecular Physics
Keywords:
one-center method, molecular orbital, higher harmonics, excited state, ionized state, linear molecule, hydrogen fluoride, lithium monofluoride, boron monofluoride
Online: 11 December 2018 (09:37:53 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/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/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/preprints202002.0062.v1
Subject:
Biology And Life Sciences,
Virology
Keywords:
Integrase; HIV-1; Naturally occurring polymorphism; diversity; Molecular Modelling; Molecular Docking
Online: 5 February 2020 (11:02:15 CET)
ARTICLE
|
doi:10.20944/preprints201807.0251.v1
Subject:
Chemistry And Materials Science,
Medicinal Chemistry
Keywords:
docking; epigenetics; epi-informatics; molecular interactions; molecular dynamics; natural products; flavonoids
Online: 14 July 2018 (17:45:16 CEST)
ARTICLE
|
doi:10.20944/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/preprints202111.0406.v1
Online: 22 November 2021 (14:22:59 CET)
ARTICLE
Subject:
Chemistry And Materials Science,
Medicinal Chemistry
Keywords:
azolines synthesis; quorum sensing; Chromobacterium violaceum CV026; molecular docking; molecular dynamics
Online: 6 May 2019 (08:59:08 CEST)
ARTICLE
|
doi:10.20944/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/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/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/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/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/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/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)
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)
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/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/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/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)
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/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/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
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)
REVIEW
|
doi:10.20944/preprints201902.0122.v6
Subject:
Biology And Life Sciences,
Biophysics
Keywords:
Leishmania; Trypanosoma; Molecular Dynamics; Theoretical Chemistry
Online: 22 September 2023 (11:07:35 CEST)
REVIEW
|
doi:10.20944/preprints202312.1587.v1
Subject:
Biology And Life Sciences,
Biochemistry And Molecular Biology
Keywords:
Cancer; Molecular Oncology; Oncogenes; NSD3; NSD3S
Online: 21 December 2023 (09:21:20 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/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/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/preprints202310.0061.v1
Subject:
Biology And Life Sciences,
Biology And Biotechnology
Keywords:
Cutaneous leishmaniases; Molecular diagnosis; Point of care; Leishmania; Molecular target; Palm PCR; Duplex PCR; Lateral Flow immunoassay
Online: 2 October 2023 (09:43:13 CEST)
ARTICLE
|
doi:10.20944/preprints202308.0933.v1
Subject:
Medicine And Pharmacology,
Oncology And Oncogenics
Keywords:
PDAC; precision medicine; gene alterations; molecular profiling; molecular targeted therapies
Online: 11 August 2023 (11:06:09 CEST)
ARTICLE
|
doi:10.20944/preprints202304.0254.v1
Subject:
Biology And Life Sciences,
Toxicology
Keywords:
cancer cells; quinones; mTOR; antiproliferative activity; molecular descriptors; molecular docking
Online: 12 April 2023 (07:57:34 CEST)
ARTICLE
|
doi:10.20944/preprints202107.0395.v1
Subject:
Medicine And Pharmacology,
Immunology And Allergy
Keywords:
Melatonin; molecular modelling; adsorption; clays; modified drug release; molecular dynamics
Online: 19 July 2021 (08:44:04 CEST)
ARTICLE
|
doi:10.20944/preprints202002.0383.v1
Subject:
Medicine And Pharmacology,
Medicine And Pharmacology
Keywords:
Salmonella; antibiotic resistance; immunoinformatic; epitope; molecular docking; molecular dynamics simulation
Online: 26 February 2020 (01:56:41 CET)