Search Results
31994 articles found
ARTICLE
|
doi:10.20944/preprints201701.0029.v2
Subject:
Chemistry And Materials Science,
Theoretical Chemistry
Keywords:
electron transfer; Marcus equation; enzymatic fuel cell; hydrogen oxidation; electrode adsorption; DFT; bioelectrochemistry
Online: 9 January 2017 (02:49:00 CET)
COMMUNICATION
|
doi:10.20944/preprints202402.0214.v1
Subject:
Public Health And Healthcare,
Other
Keywords:
prostate-specific antigen (PSA); Autodock Vina; Pyrx program; Prostate cancer
Online: 5 February 2024 (10:58:54 CET)
COMMUNICATION
|
doi:10.20944/preprints202402.0258.v1
Subject:
Medicine And Pharmacology,
Other
Keywords:
human monoamine oxidase B (MAO-B); PkCSM Server; Daidzin; Parkinson's disease; Docking program
Online: 5 February 2024 (10:35:40 CET)
ARTICLE
|
doi:10.20944/preprints202403.1861.v1
Subject:
Engineering,
Aerospace Engineering
Keywords:
Stability analysis; Gravity gradient; Large rigid space structure; Orbit dynamics; Natural coordinate formulation
Online: 29 March 2024 (13:45:30 CET)
ARTICLE
|
doi:10.20944/preprints201608.0038.v1
Subject:
Environmental And Earth Sciences,
Environmental Science
Keywords:
historical reconstruction; modeling; drinking water; water quality; VOC; epidemiological study; health study; Camp Lejeune
Online: 4 August 2016 (10:09:23 CEST)
ARTICLE
|
doi:10.20944/preprints201701.0040.v1
Subject:
Biology And Life Sciences,
Biochemistry And Molecular Biology
Keywords:
Sarcocystis neurona; EPM; docking; apicomplexans; phylogeny; homology modeling
Online: 9 January 2017 (05:19:32 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)
ARTICLE
|
doi:10.20944/preprints202404.0771.v1
Subject:
Engineering,
Chemical Engineering
Keywords:
multiphase flow; fluidization; simulation; CFD-DEM
Online: 11 April 2024 (09:26:52 CEST)
ARTICLE
|
doi:10.20944/preprints202402.1641.v1
Subject:
Environmental And Earth Sciences,
Atmospheric Science And Meteorology
Keywords:
the Source Region of the Yellow River; WRF-Hydro; the atmosphere-land-hydrology coupling processes; streamflow
Online: 28 February 2024 (13:50:42 CET)
ARTICLE
|
doi:10.20944/preprints202309.0222.v1
Subject:
Computer Science And Mathematics,
Mathematical And Computational Biology
Keywords:
Stochastic dynamics; HBV; stability in probability; Euler-Maruyama; Milstein
Online: 5 September 2023 (03:47:46 CEST)
ARTICLE
|
doi:10.20944/preprints201811.0534.v1
Subject:
Engineering,
Marine Engineering
Keywords:
tsunami; CFD; Saint Venant (SV) model; Adaptive Mesh Refinement (AMR); large scale propagation; 3D Navier-Stokes (NS) model; coastal impact
Online: 22 November 2018 (04:43:54 CET)
ARTICLE
|
doi:10.20944/preprints201910.0218.v1
Subject:
Engineering,
Mechanical Engineering
Keywords:
bearing; lubrication; CFD; OpenFOAM®; meshing
Online: 18 October 2019 (11:55:48 CEST)
ARTICLE
|
doi:10.20944/preprints202310.0436.v1
Subject:
Chemistry And Materials Science,
Medicinal Chemistry
Keywords:
pharmacological evaluation; docking; anti-inflammatory; analgesic; antimicrobial
Online: 8 October 2023 (08:26:48 CEST)
ARTICLE
|
doi:10.20944/preprints201806.0378.v1
Subject:
Physical Sciences,
Astronomy And Astrophysics
Keywords:
stellar evolution; late stage stellar evolution; binarity; transients; planetary nebulae
Online: 25 June 2018 (10:30:21 CEST)
REVIEW
|
doi:10.20944/preprints202112.0092.v1
Subject:
Chemistry And Materials Science,
Applied Chemistry
Keywords:
deep eutectic solvents; computer simulation; quantum mechanics; molecular dynamics; machine leaning.
Online: 6 December 2021 (16:16:32 CET)
ARTICLE
|
doi:10.20944/preprints201912.0223.v1
Subject:
Engineering,
Electrical And Electronic Engineering
Keywords:
laser dynamics; parallel computing; cellular automatas; GPUs and Multi-Core processors performance
Online: 17 December 2019 (09:48:23 CET)
ARTICLE
|
doi:10.20944/preprints201808.0463.v1
Subject:
Chemistry And Materials Science,
Medicinal Chemistry
Keywords:
Factor Xa ( F-Xa), Cardiovascular diseases (CD), Coronary heart disease (CHD), Tissue plasminogen activator (t-PA), Urokinase (UK), Streptokinase (SK), N,N-Dimethyl formamide (DMF)
Online: 27 August 2018 (14:54:10 CEST)
ARTICLE
|
doi:10.20944/preprints202310.0716.v1
Subject:
Chemistry And Materials Science,
Materials Science And Technology
Keywords:
Polystyrene; Activated carbon; Pyrolysis; Reactive molecular dynamics
Online: 11 October 2023 (17:25:09 CEST)
REVIEW
|
doi:10.20944/preprints202207.0108.v1
Subject:
Biology And Life Sciences,
Biochemistry And Molecular Biology
Keywords:
membrane curvature; molecular dynamics; simulations; BAR domain; trafficking
Online: 7 July 2022 (04:19:42 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/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)
ARTICLE
|
doi:10.20944/preprints201704.0108.v1
Subject:
Engineering,
Energy And Fuel Technology
Keywords:
non-equilibrium phase behavior; compositional flow simulations; phase transitions; upscaling; hydrocarbon mixtures; non-equilibrium constant volume depletion
Online: 18 April 2017 (04:05:57 CEST)
COMMUNICATION
|
doi:10.20944/preprints202401.0574.v1
Subject:
Public Health And Healthcare,
Public Health And Health Services
Keywords:
UDP-Glucuronate Decarboxylase 1; Autodock Vina; Mcule Database; Polydatin
Online: 8 January 2024 (07:09:40 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/preprints202310.0899.v1
Subject:
Physical Sciences,
Applied Physics
Keywords:
betatron radiation; LWFA; self injection; spectrum
Online: 13 October 2023 (11:42:20 CEST)
ARTICLE
|
doi:10.20944/preprints202310.0298.v1
Subject:
Computer Science And Mathematics,
Applied Mathematics
Keywords:
Polymer; Multiscale; Fluid dynamics; Viscoelastic; Capillary thinning
Online: 6 October 2023 (05:52:22 CEST)
REVIEW
|
doi:10.20944/preprints202010.0394.v2
Subject:
Environmental And Earth Sciences,
Atmospheric Science And Meteorology
Keywords:
Tsunami Modeling; Tsunami Simulations; Numerical Methods
Online: 18 December 2020 (12:01:05 CET)
ARTICLE
|
doi:10.20944/preprints202005.0439.v3
Subject:
Biology And Life Sciences,
Biochemistry And Molecular Biology
Keywords:
curcumin; COVID-19; nucleocapsid phosphoprotein; membrane glycoprotein; antiviral mechanism
Online: 7 June 2020 (17:21:49 CEST)
ARTICLE
|
doi:10.20944/preprints202304.0561.v1
Subject:
Biology And Life Sciences,
Biology And Biotechnology
Keywords:
Bilirubin; 7α- and 7β-hydroxysteroid dehydrogenases; Activity; Inhibition
Online: 19 April 2023 (07:35:44 CEST)
ARTICLE
|
doi:10.20944/preprints202401.2190.v1
Subject:
Engineering,
Mechanical Engineering
Keywords:
Lattice structure; Energy absorption; Additive manufacturing; Printing defects; Finite element model
Online: 31 January 2024 (09:25:36 CET)
ARTICLE
|
doi:10.20944/preprints202401.1136.v1
Subject:
Environmental And Earth Sciences,
Space And Planetary Science
Keywords:
Turbulence; Intermittency; Dissipation; Non local Interactions
Online: 15 January 2024 (13:45:39 CET)
ARTICLE
|
doi:10.20944/preprints202211.0067.v1
Subject:
Engineering,
Energy And Fuel Technology
Keywords:
Methane; adsorption; shale gas; coalbed methane; slit pore; carbon dioxide; modelling; Grand Canonical Monte Carlo; Molecular Dynamics.
Online: 3 November 2022 (03:38:20 CET)
ARTICLE
|
doi:10.20944/preprints202002.0376.v1
Subject:
Computer Science And Mathematics,
Computer Science
Keywords:
Regional climate model; wind energy; surface roughness; ERA5 reanalysis data
Online: 25 February 2020 (11:51:17 CET)
ARTICLE
|
doi:10.20944/preprints202001.0065.v1
Subject:
Computer Science And Mathematics,
Probability And Statistics
Keywords:
simulation; binomial distribution; Poisson distribution; stochastic process; modelling
Online: 8 January 2020 (07:43:23 CET)
ARTICLE
|
doi:10.20944/preprints202001.0014.v1
Subject:
Computer Science And Mathematics,
Probability And Statistics
Keywords:
simulation; binomial distribution; poison distribution; stochastic process; modelling
Online: 2 January 2020 (05:19:27 CET)
ARTICLE
|
doi:10.20944/preprints201807.0150.v1
Subject:
Engineering,
Other
Keywords:
Transient models; Simulations; Natural Gas; Pipeline; Finite Element Method; Ansys Flotran
Online: 9 July 2018 (14:03:19 CEST)
ARTICLE
|
doi:10.20944/preprints201806.0418.v1
Subject:
Chemistry And Materials Science,
Physical Chemistry
Keywords:
ice XIV; vibrational spectrum; hydrogen bond; CASTEP, first-principles; DFT
Online: 26 June 2018 (12:44:03 CEST)
COMMUNICATION
|
doi:10.20944/preprints202402.0189.v1
Subject:
Public Health And Healthcare,
Other
Keywords:
autodock vina; pyrx program; TNF-alpha; inflammation; docking studies
Online: 5 February 2024 (06:24:20 CET)
COMMUNICATION
|
doi:10.20944/preprints202312.0211.v1
Subject:
Public Health And Healthcare,
Primary Health Care
Keywords:
Melanoma; pKCSM; Docking approach; Diosmin; MAGEB1
Online: 5 December 2023 (04:39:27 CET)
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/preprints202008.0438.v1
Subject:
Chemistry And Materials Science,
Organic Chemistry
Keywords:
acetylcholinesterase; antioxidant; Alzheimer; coumarin; selenazole
Online: 20 August 2020 (07:26:34 CEST)
REVIEW
|
doi:10.20944/preprints202308.0398.v1
Subject:
Engineering,
Chemical Engineering
Keywords:
biomass gasification; process simulation; thermodynamic equilibrium; kinetic model; ANN; multivariate data analysis
Online: 4 August 2023 (11:17:33 CEST)
ARTICLE
|
doi:10.20944/preprints202007.0598.v1
Subject:
Computer Science And Mathematics,
Artificial Intelligence And Machine Learning
Keywords:
Reinforcement Learning; Simulation; Health Services Research; Operational Research
Online: 24 July 2020 (14:45:33 CEST)
ARTICLE
|
doi:10.20944/preprints201912.0200.v1
Subject:
Physical Sciences,
Astronomy And Astrophysics
Keywords:
blazars; variability; lognormality; Mrk 421
Online: 15 December 2019 (16:00:38 CET)
REVIEW
|
doi:10.20944/preprints201908.0271.v1
Subject:
Biology And Life Sciences,
Biophysics
Keywords:
GPCRs; membrane protein; molecular dynamics; protein structure; drug design; biased-signaling pathway; allosteric sites
Online: 26 August 2019 (15:34:57 CEST)
ARTICLE
|
doi:10.20944/preprints201906.0091.v1
Subject:
Biology And Life Sciences,
Biology And Biotechnology
Keywords:
apoptosis; cyclosaplin; molecular docking; protein kinases; Sandalwood
Online: 11 June 2019 (09:45:07 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/preprints202402.1051.v1
Subject:
Engineering,
Aerospace Engineering
Keywords:
Static Hysteresis; Dynamic Stall; Dual Time Stepping; OpenFOAM; Phenomenological Bifurcation Model
Online: 20 February 2024 (04:34:07 CET)
ARTICLE
|
doi:10.20944/preprints202106.0679.v1
Subject:
Engineering,
Mechanical Engineering
Keywords:
numerical simulations; adaptive mesh refinement; fire spread; optimization
Online: 28 June 2021 (15:30:15 CEST)
COMMUNICATION
|
doi:10.20944/preprints202402.0232.v1
Subject:
Public Health And Healthcare,
Other
Keywords:
Hypericin,Autodock Vina,Alzheimer's Disease,KIBRA Protein
Online: 5 February 2024 (07:46:53 CET)
ARTICLE
|
doi:10.20944/preprints202002.0438.v1
Subject:
Chemistry And Materials Science,
Medicinal Chemistry
Keywords:
COVID-19; Simeprevir; Protease inhibitor; Virtual screening; Docking
Online: 28 February 2020 (13:14:38 CET)
ARTICLE
|
doi:10.20944/preprints201911.0375.v1
Subject:
Chemistry And Materials Science,
Medicinal Chemistry
Keywords:
synthesis; 2-mercaptabezimidazole; sulfonamide; molecular docking study; α-amylase; sa
Online: 29 November 2019 (10:28:22 CET)
ARTICLE
|
doi:10.20944/preprints201901.0086.v1
Subject:
Business, Economics And Management,
Finance
Keywords:
Quinoxaline Analogs, Synthesis, Thymidine phosphorylase inhibition, Molecular docking
Online: 9 January 2019 (13:23:49 CET)
ARTICLE
|
doi:10.20944/preprints202307.1174.v1
Subject:
Engineering,
Energy And Fuel Technology
Keywords:
Swab; Surge; Simulation; Machine Learning modeling; Oil Based Drilling fluids
Online: 18 July 2023 (10:12:35 CEST)
ARTICLE
Subject:
Engineering,
Automotive Engineering
Keywords:
building simulation; office buildings; energy performance; energy modelling; HVAC; analytical modelling; statistical analysis
Online: 1 October 2020 (15:40:25 CEST)
ARTICLE
|
doi:10.20944/preprints202009.0391.v1
Subject:
Chemistry And Materials Science,
Medicinal Chemistry
Keywords:
Diabetes mellitus; oxidative stress; alpha-glucosidase; alpha-amylase; Salvia aurita; abietane diterpenes
Online: 17 September 2020 (09:03:16 CEST)
ARTICLE
|
doi:10.20944/preprints202405.0791.v1
Subject:
Electrical And Electronic Engineering,
Engineering
Keywords:
Electric vehicle charging station; AutoDesign; Pandapower; Techno-economic assessment
Online: 13 May 2024 (12:30:27 CEST)
REVIEW
|
doi:10.20944/preprints202401.0617.v1
Subject:
Engineering,
Bioengineering
Keywords:
bioprinting; microextrusion; computational simulation; nozzle
Online: 8 January 2024 (16:22:14 CET)
ARTICLE
|
doi:10.20944/preprints202310.1362.v1
Subject:
Chemistry And Materials Science,
Electronic, Optical And Magnetic Materials
Keywords:
cobalt; finite element analysis; hysteresis loop; nanoparticles
Online: 20 October 2023 (14:54:09 CEST)
ARTICLE
|
doi:10.20944/preprints202106.0440.v1
Subject:
Environmental And Earth Sciences,
Atmospheric Science And Meteorology
Keywords:
air quality; thermal comfort; air quality index; heat index; wind chill; Bulgaria; Europe
Online: 16 June 2021 (11:18:02 CEST)
ARTICLE
|
doi:10.20944/preprints202007.0644.v1
Subject:
Environmental And Earth Sciences,
Atmospheric Science And Meteorology
Keywords:
Lagrangian particle microphysics; polarimetric radar; outer rain bands; hurricane Dorian
Online: 26 July 2020 (16:59:15 CEST)
ARTICLE
|
doi:10.20944/preprints202003.0150.v1
Subject:
Engineering,
Control And Systems Engineering
Keywords:
CFD; numerical optimization; CAD parametrization; cloud-based; design space exploration; SSIM
Online: 9 March 2020 (09:50:23 CET)
ARTICLE
|
doi:10.20944/preprints201810.0262.v1
Subject:
Engineering,
Energy And Fuel Technology
Keywords:
aerodynamics; BEM; CFD; simulation; wind turbine
Online: 12 October 2018 (08:05:56 CEST)
ARTICLE
|
doi:10.20944/preprints201701.0058.v1
Subject:
Chemistry And Materials Science,
Materials Science And Technology
Keywords:
spin crossover; density functional calculations; Hubbard model; solid state; Slichter-Drickamer model; Monte Carlo simulation; Ising model
Online: 11 January 2017 (09:17:46 CET)
ARTICLE
|
doi:10.20944/preprints202209.0218.v1
Subject:
Chemistry And Materials Science,
Theoretical Chemistry
Keywords:
Scutellaria baicalensis; phytochemicals; glioblastoma multiforme; in silico
Online: 15 September 2022 (03:55:58 CEST)
ARTICLE
|
doi:10.20944/preprints202105.0171.v1
Subject:
Medicine And Pharmacology,
Immunology And Allergy
Keywords:
C. dichotoma; Flavonoids; Antidiabetic; alpha-glucosidase, alpha-amylase, Docking; ADMET
Online: 10 May 2021 (11:02:24 CEST)
ARTICLE
|
doi:10.20944/preprints202102.0397.v1
Subject:
Chemistry And Materials Science,
Analytical Chemistry
Keywords:
pyrazolopyrimidinone; hydrazide-hydrazone; antitumor lead compound; cytotoxic activity; antiproliferative activity; molecular docking; epidermal growth factor receptor; G-quadruplex DNA; KRAS; circular dichroism
Online: 17 February 2021 (14:05:44 CET)
BRIEF REPORT
Subject:
Biology And Life Sciences,
Cell And Developmental Biology
Keywords:
SARS-CoV2; spike; receptor–ligand docking; super infection
Online: 20 March 2020 (08:30:40 CET)
ARTICLE
|
doi:10.20944/preprints201909.0130.v1
Subject:
Chemistry And Materials Science,
Medicinal Chemistry
Keywords:
Synthesis; triazinoindole; thiosemicarbazide; alpha-glucosidase; molecular docking study; SAR
Online: 13 September 2019 (10:54:30 CEST)
ARTICLE
|
doi:10.20944/preprints201710.0200.v1
Subject:
Chemistry And Materials Science,
Medicinal Chemistry
Keywords:
4-Thiazolidinones; ORAC assay; Metalloproteinase-9; Docking study; Keratinocytes cultures; Nuclear factor -kB.
Online: 31 October 2017 (16:36:16 CET)
REVIEW
|
doi:10.20944/preprints201810.0329.v1
Subject:
Biology And Life Sciences,
Biochemistry And Molecular Biology
Keywords:
protein dynamics; coarse-grained simulation; Monte-Carlo dynamics; structural flexibility; large-scale dynamics; elastic network model;
Online: 15 October 2018 (17:10:57 CEST)
ARTICLE
|
doi:10.20944/preprints202403.1699.v1
Subject:
Chemistry And Materials Science,
Electronic, Optical And Magnetic Materials
Keywords:
atomistic simulation; point defect; defect structure; rare earth dopant; magnesium oxide
Online: 28 March 2024 (12:00:23 CET)
ARTICLE
|
doi:10.20944/preprints202303.0284.v1
Subject:
Environmental And Earth Sciences,
Oceanography
Keywords:
Extreme Waves; Extra-Tropical Cyclones; Altimeter and SWIM-CFOSAT; Ocean Surface Waves Remote Sensing; Atlantic Ocean; Ocean Surface Waves Monitoring and Modeling; Parametric-2D Wave-ray Model; Swell Evolution; Synthetic Aperture Radar
Online: 15 March 2023 (10:51:31 CET)
ARTICLE
|
doi:10.20944/preprints202108.0519.v1
Subject:
Physical Sciences,
Mathematical Physics
Keywords:
Network; Graph theory; Soccer; Performance analysis
Online: 27 August 2021 (11:30:10 CEST)
ARTICLE
|
doi:10.20944/preprints202101.0148.v1
Subject:
Physical Sciences,
Atomic And Molecular Physics
Keywords:
Contact angle; Molecular Dynamics; C sharp; hydrophobic; hydrophilic
Online: 8 January 2021 (11:41:35 CET)
ARTICLE
|
doi:10.20944/preprints201905.0089.v1
Subject:
Engineering,
Chemical Engineering
Keywords:
fixed-bed reactor; blender; Discrete Element Method; CFD
Online: 8 May 2019 (10:00:00 CEST)
ARTICLE
|
doi:10.20944/preprints201901.0222.v1
Subject:
Engineering,
Marine Engineering
Keywords:
numerical wave tank; internal wavemaker; CFD; wave generation; OpenFOAM
Online: 22 January 2019 (12:09:25 CET)
ARTICLE
|
doi:10.20944/preprints201804.0080.v2
Subject:
Physical Sciences,
Atomic And Molecular Physics
Keywords:
Belite; hydration; Density Functional Theory; water adsorption; calcium silicate
Online: 2 August 2018 (08:46:23 CEST)
COMMUNICATION
|
doi:10.20944/preprints202402.0626.v1
Subject:
Public Health And Healthcare,
Other
Keywords:
human epidermal growth factor receptor 2; docking simulations; Autodock Vina; breast cancer
Online: 12 February 2024 (08:53:18 CET)
ARTICLE
|
doi:10.20944/preprints202305.1550.v1
Subject:
Chemistry And Materials Science,
Applied Chemistry
Keywords:
Mycobacterium tuberculosis; mincle; docking; macrophage; cytokine; trehalose dibehenate; trehalose dimycolate; Molegro Studios virtual docker; immune system
Online: 23 May 2023 (03:42:12 CEST)
ARTICLE
|
doi:10.20944/preprints202012.0085.v1
Subject:
Biology And Life Sciences,
Anatomy And Physiology
Keywords:
allosteric ligands; AutoDock; cognate ligands; Tanimoto co-efficient; GPCRs
Online: 3 December 2020 (13:08:24 CET)
ARTICLE
|
doi:10.20944/preprints202008.0318.v1
Subject:
Biology And Life Sciences,
Biophysics
Keywords:
nicotinic acetylcholine receptors; three-finger toxins; acetylcholine binding protein; protein – protein docking; computational modeling
Online: 14 August 2020 (09:57:35 CEST)
ARTICLE
|
doi:10.20944/preprints202311.1107.v2
Subject:
Physical Sciences,
Atomic And Molecular Physics
Keywords:
Attosecond simulations; Subatomic Interactions; Subatomic Particle Dynamics; Pilot-Wave Theory; Particle-Wave Nature
Online: 19 February 2024 (04:55:20 CET)
ARTICLE
|
doi:10.20944/preprints202310.1804.v1
Subject:
Public Health And Healthcare,
Public Health And Health Services
Keywords:
HBV infection; piecewise Atangana-Baleanu Fractional-order model; Stability; Simulation
Online: 27 October 2023 (12:21:00 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/preprints202109.0275.v1
Subject:
Medicine And Pharmacology,
Pharmacy
Keywords:
Cloud infrastructure; Spark; Molecular Dynamics simulations; Drug design.
Online: 16 September 2021 (11:02:38 CEST)
REVIEW
|
doi:10.20944/preprints201812.0193.v1
Subject:
Biology And Life Sciences,
Biophysics
Keywords:
coarse-grained; CABS model; MC simulations; statistical force fields; disordered protein; protein structure
Online: 17 December 2018 (10:54:32 CET)
COMMUNICATION
|
doi:10.20944/preprints202401.1550.v1
Subject:
Medicine And Pharmacology,
Other
Keywords:
Mycobacterium tuberculosis; Amentoflavone; Docking analysis; Helicobacter pylori; Haemophilus influenzae and Pseudomonas aeruginosa
Online: 22 January 2024 (10:11:43 CET)
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/preprints202307.0785.v1
Subject:
Biology And Life Sciences,
Toxicology
Keywords:
Aquatic contamination; Ecotoxicology; Environmental contamination; Enrichment analysis; Net-work biology; Neurodevelopmental disorders; Neurotoxicity of pesticides.
Online: 12 July 2023 (07:32:31 CEST)
REVIEW
|
doi:10.20944/preprints202304.1239.v1
Subject:
Medicine And Pharmacology,
Oncology And Oncogenics
Keywords:
Cervical cancer; Human papillomavirus (HPV); Photodynamic therapy (PDT); Squamous in-traepithelial neoplasia; Bibliometric analysis; Molecular Docking; Fullerene
Online: 30 April 2023 (02:31:30 CEST)
ARTICLE
|
doi:10.20944/preprints202012.0206.v1
Subject:
Chemistry And Materials Science,
Analytical Chemistry
Keywords:
Crinipellin; Alliacol-B; cycloaddition; dearomatization; docking study
Online: 8 December 2020 (16:58:31 CET)
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)
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/preprints201908.0238.v1
Subject:
Medicine And Pharmacology,
Oncology And Oncogenics
Keywords:
aurora kinase A; molecular docking; DFT; MD simulation
Online: 23 August 2019 (05:01:40 CEST)
ARTICLE
|
doi:10.20944/preprints202210.0408.v1
Subject:
Chemistry And Materials Science,
Organic Chemistry
Keywords:
allylisothiocyanate; 1,2-dibromo-3-isothiocyanatopropane; 3,5-dimethyl-1H-pyrazole; intramolecular heterocyclization; 5-(bromomethyl)-2-(3,5-dimethyl-1H-pyrazol-1-yl)-4,5-dihydrothiazole; alkaloid cytisine; alkaloid salsoline
Online: 26 October 2022 (09:53:38 CEST)
ARTICLE
|
doi:10.20944/preprints202401.1115.v1
Subject:
Biology And Life Sciences,
Biophysics
Keywords:
Virus modeling; 3D simulations; diffusion-reaction PDEs; realistic reconstructed geometries; unstructured grids; interdisciplinary virus research; coupling manifold and volume effects
Online: 15 January 2024 (08:55:52 CET)
ARTICLE
|
doi:10.20944/preprints202310.0704.v1
Subject:
Environmental And Earth Sciences,
Atmospheric Science And Meteorology
Keywords:
Climate extremes; transition season; rainy season; model errors; extended range
Online: 11 October 2023 (08:56:24 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/preprints202306.1072.v1
Subject:
Engineering,
Mining And Mineral Processing
Keywords:
Landform evolution modelling; catchment hydrology; post-mining landscape; sediment transport; mine rehabilitation
Online: 15 June 2023 (05:08:13 CEST)