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/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
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/preprints202211.0376.v1
Subject:
Chemistry And Materials Science,
Medicinal Chemistry
Keywords:
synthesis; leishmaniasis; flavonoids; rCPB; molecular modelling.
Online: 21 November 2022 (06:29:51 CET)
ARTICLE
|
doi:10.20944/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)
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)
REVIEW
|
doi:10.20944/preprints202307.0229.v1
Subject:
Medicine And Pharmacology,
Oncology And Oncogenics
Keywords:
large cell; neuroendocrine; lung cancer; pathology; molecular subtypes; diagnosis; treatment
Online: 4 July 2023 (12:28:53 CEST)
ARTICLE
|
doi:10.20944/preprints202305.0281.v1
Subject:
Biology And Life Sciences,
Biochemistry And Molecular Biology
Keywords:
Antibody; PG16; HIV-1; peptides; antibody mimetic peptides; molecular dynamics
Online: 5 May 2023 (03:08:46 CEST)
ARTICLE
|
doi:10.20944/preprints202106.0297.v1
Subject:
Biology And Life Sciences,
Biochemistry And Molecular Biology
Keywords:
Trueperella pyogenes; TatD DNases; luteolin; DNA hydrolysis; molecular modeling; SPR
Online: 10 June 2021 (14:13:37 CEST)
ARTICLE
|
doi:10.20944/preprints202211.0283.v1
Subject:
Chemistry And Materials Science,
Theoretical Chemistry
Keywords:
dioxins; lipid membranes; molecular dynamics; QM/MM; EDA
Online: 15 November 2022 (09:50:18 CET)
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/preprints201801.0072.v1
Subject:
Chemistry And Materials Science,
Nanotechnology
Keywords:
interface structure; molecular dynamics; diffusion coefficient; uniaxial tension; orientation
Online: 9 January 2018 (03:27:22 CET)
ARTICLE
|
doi:10.20944/preprints201908.0223.v1
Subject:
Chemistry And Materials Science,
Medicinal Chemistry
Keywords:
LSD1; molecular inhibitors; thieno[3,2-b]pyrrole-5-carboxamide derivatives; Molecular docking; 3D-QSAR; Molecular dynamics simulations
Online: 21 August 2019 (09:54:43 CEST)
ARTICLE
|
doi:10.20944/preprints202304.0346.v1
Subject:
Chemistry And Materials Science,
Other
Keywords:
immobilization of DNA molecules on the surface of dielectrics; interaction of nanopowders with nucleotides; molecular electronics; nanotechnology; molecular dynamics modeling; DNA conformation in an electric field; genotoxic effects
Online: 14 April 2023 (04:03:43 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/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/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/preprints202104.0699.v1
Subject:
Physical Sciences,
Acoustics
Keywords:
Molecular Dynamics; Graphene oxide; Simultaneous Detection
Online: 27 April 2021 (10:07:51 CEST)
ARTICLE
|
doi:10.20944/preprints201806.0066.v1
Subject:
Chemistry And Materials Science,
Biomaterials
Keywords:
molecular graph; degree-based index; silicon-carbon
Online: 5 June 2018 (12:44:44 CEST)
ARTICLE
|
doi:10.20944/preprints202104.0732.v1
Subject:
Medicine And Pharmacology,
Immunology And Allergy
Keywords:
Epidermal Growth Factor Receptor (EGFR); mutations, EGFR tyrosine kinase inhibitor; molecular epidemiology; Non-small-cell lung cancer
Online: 28 April 2021 (07:55:22 CEST)
ARTICLE
|
doi:10.20944/preprints202210.0152.v1
Subject:
Biology And Life Sciences,
Biochemistry And Molecular Biology
Keywords:
immobilization of DNA molecules on the surface of dielectrics; interaction of nanopowders with nucleotides; molecular electronics; nanotechnology; molecular dynamics modeling; DNA conformation in an electric field; genotoxic effects
Online: 11 October 2022 (10:39:29 CEST)
REVIEW
|
doi:10.20944/preprints202101.0151.v1
Subject:
Biology And Life Sciences,
Biochemistry And Molecular Biology
Keywords:
complement system; proteolytic cascade; convertase; inhibitor; structural biology; molecular mechanism
Online: 8 January 2021 (11:54:36 CET)
ARTICLE
Subject:
Chemistry And Materials Science,
Surfaces, Coatings And Films
Keywords:
organic semiconductor; electronic polarization; GW approximation; electrostatic interaction; molecular orientation dependence
Online: 27 November 2019 (05:18:10 CET)
ARTICLE
|
doi:10.20944/preprints202306.0665.v1
Subject:
Chemistry And Materials Science,
Polymers And Plastics
Keywords:
Molecular Dynamics; polyelectrolytes; polymerization; self-assembly; graph theory
Online: 9 June 2023 (04:20:41 CEST)
ARTICLE
|
doi:10.20944/preprints202309.2043.v1
Subject:
Biology And Life Sciences,
Animal Science, Veterinary Science And Zoology
Keywords:
Avipoxvirus; molecular characterization; phylogenetic analysis; viral introduction; Portugal
Online: 29 September 2023 (08:32:26 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/preprints202109.0170.v1
Subject:
Medicine And Pharmacology,
Oncology And Oncogenics
Keywords:
molecular iodine; immune response; breast cancer
Online: 9 September 2021 (10:45:34 CEST)
REVIEW
|
doi:10.20944/preprints202009.0086.v1
Subject:
Biology And Life Sciences,
Biology And Biotechnology
Keywords:
life support for space; plant molecular pharming
Online: 4 September 2020 (07:31:34 CEST)
ARTICLE
|
doi:10.20944/preprints202201.0295.v1
Subject:
Biology And Life Sciences,
Animal Science, Veterinary Science And Zoology
Keywords:
WGCNA; lung development; histological structure; molecular changes; amphibian
Online: 20 January 2022 (10:16:10 CET)
ARTICLE
|
doi:10.20944/preprints202110.0229.v1
Subject:
Biology And Life Sciences,
Plant Sciences
Keywords:
Canary Islands; cryptic invasion; molecular phylogeny; Persicaria; taxonomy
Online: 15 October 2021 (14:34:13 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/preprints202310.1852.v1
Subject:
Biology And Life Sciences,
Plant Sciences
Keywords:
bioinformatics; cannabis; hemp; hop latent viroid; molecular diagnostics; plant pathogens
Online: 30 October 2023 (09:54:14 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/preprints202401.0189.v1
Subject:
Chemistry And Materials Science,
Materials Science And Technology
Keywords:
SBS modifiers; rubber modifiers; molecular simulation technology
Online: 3 January 2024 (09:23:12 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/preprints202307.1164.v1
Subject:
Biology And Life Sciences,
Neuroscience And Neurology
Keywords:
Norepinephrine, Norepinephrine transporter, molecular dynamics, efflux, Gβγ subunit.
Online: 18 July 2023 (09:13:37 CEST)
ARTICLE
|
doi:10.20944/preprints202202.0222.v1
Subject:
Medicine And Pharmacology,
Gastroenterology And Hepatology
Keywords:
hepatocellular carcinoma; lenvatinib; molecular targeted agents; complete response; CT value
Online: 18 February 2022 (04:05:18 CET)
ARTICLE
|
doi:10.20944/preprints202311.1285.v1
Subject:
Medicine And Pharmacology,
Medicine And Pharmacology
Keywords:
antimicrobial activity; molecular dynamics; membrane; peptide; structure-activity relationship
Online: 21 November 2023 (07:27:05 CET)
REVIEW
|
doi:10.20944/preprints202305.1725.v1
Subject:
Medicine And Pharmacology,
Hematology
Keywords:
Molecular biology; infectious diseases; clinical diagnostic; early detection; prognosis
Online: 25 May 2023 (03:34:18 CEST)
ARTICLE
|
doi:10.20944/preprints202109.0101.v1
Subject:
Biology And Life Sciences,
Biophysics
Keywords:
E6; variants; MAGI-1; molecular dynamic simulation; docking
Online: 6 September 2021 (13:51:17 CEST)
ARTICLE
|
doi:10.20944/preprints201807.0085.v1
Subject:
Biology And Life Sciences,
Biochemistry And Molecular Biology
Keywords:
CagA; phosphatidylserine; phosphatidylserine mutations; conservation N-terminal CagA; homology modeling; molecular docking
Online: 5 July 2018 (08:34:40 CEST)
Subject:
Biology And Life Sciences,
Biochemistry And Molecular Biology
Keywords:
telomere; DNA replication; chromosome; shelterin; molecular biology
Online: 22 December 2023 (10:14:17 CET)
ARTICLE
|
doi:10.20944/preprints201712.0166.v1
Subject:
Chemistry And Materials Science,
Nanotechnology
Keywords:
three-body abrasion; phase transformation; monocrystalline silicon; abrasive shape; molecular dynamics
Online: 25 December 2017 (07:31:45 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)
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/preprints202011.0146.v4
Subject:
Biology And Life Sciences,
Biochemistry And Molecular Biology
Keywords:
Ferric Uptake Regulation; Fur, Iron(II), Molecular dynamics; DNA; protein
Online: 10 November 2020 (12:23:58 CET)
ARTICLE
|
doi:10.20944/preprints201805.0166.v1
Subject:
Engineering,
Industrial And Manufacturing Engineering
Keywords:
VCM suspension polymerization, initiator mixtures, molecular characteristics, morphological properties
Online: 10 May 2018 (13:11:48 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)
BRIEF REPORT
|
doi:10.20944/preprints202002.0242.v2
Subject:
Medicine And Pharmacology,
Pharmacology And Toxicology
Keywords:
COVID-19; molecular docking; HIV protease inhibitor; nucleotide analogues
Online: 29 February 2020 (12:43:40 CET)
REVIEW
Subject:
Biology And Life Sciences,
Virology
Keywords:
SARS-CoV-2; COVID-19; coronavirus; signaling pathway; molecular alteration
Online: 21 September 2020 (04:17:24 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/preprints202309.0233.v1
Subject:
Physical Sciences,
Condensed Matter Physics
Keywords:
low density lipoproteins; hemoperfusion; azobenzene; adsorption; molecular dynamics
Online: 6 September 2023 (15:11:39 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/preprints202208.0439.v1
Subject:
Biology And Life Sciences,
Agricultural Science And Agronomy
Keywords:
acetylcholine binding protein; acetylcholinesterase; green pesticide, molecular docking
Online: 26 August 2022 (03:21:21 CEST)
ARTICLE
|
doi:10.20944/preprints202311.1133.v1
Subject:
Chemistry And Materials Science,
Physical Chemistry
Keywords:
glutathione; tripeptides; ultrasonic relaxation spectroscopy; molecular docking; self-association; proton-transfer
Online: 17 November 2023 (04:32:02 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/preprints201902.0240.v1
Online: 26 February 2019 (12:38:17 CET)
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/preprints201809.0207.v1
Subject:
Biology And Life Sciences,
Plant Sciences
Keywords:
Phosphorus deficiency, common bean, rhizobia, molecular dialog, symbiosis, gene transcription
Online: 12 September 2018 (01:29:38 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/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/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/preprints202205.0348.v1
Subject:
Chemistry And Materials Science,
Biomaterials
Keywords:
zirconia; molecular precursor method; dental-implant; osseointegration; bone-to-implant contact
Online: 25 May 2022 (10:10:35 CEST)
REVIEW
|
doi:10.20944/preprints202111.0319.v1
Subject:
Biology And Life Sciences,
Biochemistry And Molecular Biology
Keywords:
Higher Order Repeats; Non-B DNA; Centromere Protein B; Break-Induced Replication; Molecular Drive
Online: 18 November 2021 (08:27:35 CET)
ARTICLE
Subject:
Chemistry And Materials Science,
Analytical Chemistry
Keywords:
acetylene; polycyclic aromatic hydrocarbons; interstellar medium; molecular growth; benzene; Ab initio molecular dynamics; van der Waals clusters; ion-molecule reactions; astrochemistry
Online: 20 July 2021 (10:21:00 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/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/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/preprints202310.1968.v1
Subject:
Physical Sciences,
Condensed Matter Physics
Keywords:
molecular ferroelectrics; organic perovskites; anelasticity; point defects complexes
Online: 31 October 2023 (05:06:07 CET)
ARTICLE
|
doi:10.20944/preprints202309.0795.v1
Subject:
Chemistry And Materials Science,
Chemical Engineering
Keywords:
Artificial Intelligence; Machine Learning; Thermostability; Molecular Dynamics Simulation; Extended Sequence; Directed Evolution
Online: 12 September 2023 (16:57:22 CEST)
ARTICLE
|
doi:10.20944/preprints202312.1490.v1
Subject:
Chemistry And Materials Science,
Theoretical Chemistry
Keywords:
Atomic force microscope; friction force microscope; classical molecular dynamics; friction; stick-slip motion
Online: 20 December 2023 (12:16:58 CET)
REVIEW
|
doi:10.20944/preprints202304.0694.v1
Subject:
Medicine And Pharmacology,
Pathology And Pathobiology
Keywords:
Hashimoto’s thyroiditis; molecular biotechnologies; clinical trials studies; hygiene hypothesis; parvoviruses
Online: 21 April 2023 (08:48:10 CEST)
ARTICLE
|
doi:10.20944/preprints202201.0095.v2
Subject:
Chemistry And Materials Science,
Theoretical Chemistry
Keywords:
antioxidant activity; eearomatization; frontier molecular orbital; fukui function f0; DFT
Online: 3 February 2022 (15:19:51 CET)
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/preprints202404.0812.v1
Subject:
Medicine And Pharmacology,
Gastroenterology And Hepatology
Keywords:
Helicobacter pylori; antibiotic resistance; methods for determining H. pylori resistance; molecular genetic diagnostics; phenotypic methods for determining antibiotic resistance; geographical distribution of H. pylori antibiotic resistance
Online: 12 April 2024 (03:53:47 CEST)
SHORT NOTE
|
doi:10.20944/preprints202201.0166.v1
Subject:
Physical Sciences,
Applied Physics
Keywords:
Theoretical Biophysics; Mathematical Biophysics; Theoretical Biology; Molecular Biophysics
Online: 12 January 2022 (13:38:59 CET)
REVIEW
|
doi:10.20944/preprints201812.0015.v1
Subject:
Biology And Life Sciences,
Biochemistry And Molecular Biology
Keywords:
microtubule dynamics; mitosis; spindle; molecular motor protein
Online: 3 December 2018 (09:06:22 CET)
ARTICLE
|
doi:10.20944/preprints202403.0666.v1
Subject:
Medicine And Pharmacology,
Epidemiology And Infectious Diseases
Keywords:
Entamoeba histolytica; rEhHSTF5; oligomerization; monomer; dimer; trimer; HSE_ EhPgp5; EhDBD5; molecular docking
Online: 12 March 2024 (10:24:08 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)
COMMUNICATION
|
doi:10.20944/preprints202402.0071.v1
Subject:
Medicine And Pharmacology,
Epidemiology And Infectious Diseases
Keywords:
hepatitis delta virus; molecular diagnosis; viral hepatitis
Online: 1 February 2024 (13:19:59 CET)
ARTICLE
|
doi:10.20944/preprints202311.1027.v1
Subject:
Chemistry And Materials Science,
Food Chemistry
Keywords:
Surimi gel; tapioca starch; physicochemical properties; microstructure; molecular interaction
Online: 15 November 2023 (14:42:03 CET)
ARTICLE
|
doi:10.20944/preprints202112.0049.v1
Subject:
Biology And Life Sciences,
Agricultural Science And Agronomy
Keywords:
bacterial wilt; biological control; phage; microscopy; sequencing; molecular characterization; genomic characterization; depolymerase
Online: 3 December 2021 (10:36:47 CET)
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/preprints202211.0031.v1
Subject:
Biology And Life Sciences,
Biochemistry And Molecular Biology
Keywords:
GPCRs; Kappa opioid receptor; Salvinorin A; Natural products; docking; molecular dynamics simulations; dynophores
Online: 1 November 2022 (14:20:16 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/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)
REVIEW
|
doi:10.20944/preprints202308.0887.v1
Subject:
Chemistry And Materials Science,
Medicinal Chemistry
Keywords:
Drug Discovery; Drug Repurposing; SARS-CoV-2; COVID; Molecular Docking; QSAR; Molecular Dynamic; Virtual Screening; Drug Design
Online: 11 August 2023 (09:03:55 CEST)
ARTICLE
|
doi:10.20944/preprints202311.0123.v1
Subject:
Biology And Life Sciences,
Biophysics
Keywords:
SARS-CoV-2; Spike protein; structural stability; Molecular dynamics simulations; Electric fields
Online: 2 November 2023 (08:12:44 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)
ARTICLE
|
doi:10.20944/preprints202111.0406.v1
Online: 22 November 2021 (14:22:59 CET)
ARTICLE
Subject:
Chemistry And Materials Science,
Physical Chemistry
Keywords:
heat capacity; molecular volume; force-field geometry optimization; hydrocarbons; ionic liquids; siloxanes; metal complexes
Online: 29 March 2019 (08:54:23 CET)
REVIEW
|
doi:10.20944/preprints201705.0212.v1
Subject:
Biology And Life Sciences,
Anatomy And Physiology
Keywords:
cancer; cell-surface receptor; EGFR; molecular mechanism; phosphorylation; receptor tyrosine kinase; transmembrane signal transduction
Online: 30 May 2017 (08:34:04 CEST)
ARTICLE
|
doi:10.20944/preprints202312.1822.v1
Subject:
Medicine And Pharmacology,
Medicine And Pharmacology
Keywords:
Quorum Sensing; Molecular Docking; Phytochemical; Rhamnus Cathartica L; Plant-Based Antimicrobial
Online: 26 December 2023 (01:47:16 CET)
ARTICLE
|
doi:10.20944/preprints202112.0254.v1
Subject:
Chemistry And Materials Science,
Polymers And Plastics
Keywords:
Peptides and proteins; Counterions; Ions; Carboxyls; Molecular dynamics; Force fields
Online: 15 December 2021 (11:14:28 CET)
ARTICLE
|
doi:10.20944/preprints202305.1174.v2
Subject:
Medicine And Pharmacology,
Medicine And Pharmacology
Keywords:
Eurycoma longifolia; quassinoids; cancer cell lines; apoptosis; TNF-α; DHFR; molecular docking; ADMET.
Online: 22 May 2023 (11:02:09 CEST)
ARTICLE
|
doi:10.20944/preprints202105.0211.v1
Subject:
Medicine And Pharmacology,
Immunology And Allergy
Keywords:
Colorectal cancer; SYK; Prognostic Significance; Genetic Alteration; Molecular dynamics simulations
Online: 10 May 2021 (15:20:54 CEST)
ARTICLE
|
doi:10.20944/preprints201907.0051.v1
Subject:
Biology And Life Sciences,
Biochemistry And Molecular Biology
Keywords:
lung cancer; molecular signature; molecular pathway; differentially expressed genes; protein-protein interaction; reporter biomolecules and bioinformatics
Online: 3 July 2019 (08:54:37 CEST)
REVIEW
|
doi:10.20944/preprints202208.0366.v1
Subject:
Physical Sciences,
Biophysics
Keywords:
Curvature proteins; Membrane Remodelling; Protein-protein interactions; Mesoscopic Modeling; Backmapping and molecular reconstruction
Online: 22 August 2022 (03:20:01 CEST)
ARTICLE
|
doi:10.20944/preprints202310.0327.v1
Subject:
Biology And Life Sciences,
Animal Science, Veterinary Science And Zoology
Keywords:
birds; molecular sexing; minimally invasive methods
Online: 6 October 2023 (09:06:40 CEST)
ARTICLE
|
doi:10.20944/preprints202308.1475.v1
Subject:
Chemistry And Materials Science,
Medicinal Chemistry
Keywords:
acetylcholinesterase inhibitory test; molecular docking; blood-brain barrier permeation; memory impairment; AChE inhibition kinetics
Online: 21 August 2023 (13:46:47 CEST)