ARTICLE
|
doi:10.20944/preprints202405.0035.v1
Subject:
Medicinal Chemistry,
Chemistry And Materials Science
Keywords:
Mycobacterial Polyketide Synthase; QSAR; Multiple Linear Regression; Docking; Molecular Dynamics Simulations
Online: 1 May 2024 (16:46:55 CEST)
ARTICLE
|
doi:10.20944/preprints202405.0050.v1
Subject:
Aerospace Engineering,
Engineering
Keywords:
WENO scheme; turbomachinery flow; NUAA-Turbo; RANS; RANS/LES coupled simulations
Online: 1 May 2024 (07:01:50 CEST)
ARTICLE
|
doi:10.20944/preprints202404.1362.v1
Subject:
Radiation And Radiography,
Physical Sciences
Keywords:
Neutron radiography; Monte-Carlo simulations; SiPM readout; EJ200 scintillator array; SiPMs array
Online: 21 April 2024 (05:21:38 CEST)
ARTICLE
|
doi:10.20944/preprints202404.0117.v1
Subject:
Chemistry And Materials Science,
Polymers And Plastics
Keywords:
polyethylene thermal degradation; crystallinity; branched chain; molecular dynamics simulations; density functional theory calculation
Online: 1 April 2024 (15:37:49 CEST)
ARTICLE
|
doi:10.20944/preprints202404.0099.v1
Subject:
Public Health And Healthcare,
Physical Therapy, Sports Therapy And Rehabilitation
Keywords:
Ophthalmic trauma; Biomechanical simulations; Optometric interventions; Multivariate Linear Regression; Computational Biomechanics; Hertzian Contact Stress Equation; Sport Injury Mitigation Strategy
Online: 1 April 2024 (14:57:30 CEST)
ARTICLE
|
doi:10.20944/preprints202403.1558.v1
Subject:
Engineering,
Electrical And Electronic Engineering
Keywords:
decentralized voltage control; MIMO models; IMC technique; loops interaction; active power support to voltage regulation; robustness; simulations
Online: 26 March 2024 (13:07:24 CET)
ARTICLE
|
doi:10.20944/preprints202403.1600.v1
Subject:
Biology And Life Sciences,
Life Sciences
Keywords:
Castanea sativa; waste repurposing; polyphenols; UPLC-MS-MS; inflammation; RAW 264.7; molecular modeling; docking simulations
Online: 26 March 2024 (12:53:41 CET)
ARTICLE
|
doi:10.20944/preprints202403.0639.v1
Subject:
Engineering,
Industrial And Manufacturing Engineering
Keywords:
Thinning process, Bifurcation, Buckling, Wafer, Warpage, Curvature, Finite Element Analysis (FEA), Simulations.
Online: 11 March 2024 (13:51:10 CET)
ARTICLE
|
doi:10.20944/preprints202312.0450.v3
Subject:
Physical Sciences,
Nuclear And High Energy Physics
Keywords:
GSI UNILAC; gas jet stripper; supersonic nozzle; gas catcher tube; gas dynamic simulations
Online: 7 March 2024 (07:48:06 CET)
ARTICLE
|
doi:10.20944/preprints202403.0185.v1
Subject:
Engineering,
Marine Engineering
Keywords:
Sulina channel; Danube mouths; Black Sea; navigation hazards; historical data; climate scenarios; atmospheric models; wave model simulations
Online: 4 March 2024 (15:53:26 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/preprints202402.1480.v1
Subject:
Engineering,
Automotive Engineering
Keywords:
EV transmission; Transmission fluid; Transmission efficiency; High-speed gears; Gear Tribology; Surface Finishing; TEHD simulations
Online: 26 February 2024 (15:29:01 CET)
ARTICLE
|
doi:10.20944/preprints202402.1259.v1
Subject:
Engineering,
Mechanical Engineering
Keywords:
Bifurcation; Taiko wafers; Finite Element Analysis (FEA); ANSYS; Thermomechanical Simulations; Warpage; Modelling; Equivalent Thickness
Online: 22 February 2024 (07:50:28 CET)
ARTICLE
|
doi:10.20944/preprints202402.1010.v1
Subject:
Chemistry And Materials Science,
Metals, Alloys And Metallurgy
Keywords:
Multicomponent alloys; High-entropy alloys; Amorphous alloys; Valence electron concentration; Circular metals; Ab initio molecular dynamics simulations
Online: 19 February 2024 (07:48:57 CET)
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/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)
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/preprints202402.0100.v1
Subject:
Arts And Humanities,
History
Keywords:
Politics Simulations; world models; Karl W. Deutsch; Science Center Berlin; Club of Rome; Harold Guetzkow
Online: 2 February 2024 (10:16:40 CET)
ARTICLE
|
doi:10.20944/preprints202401.1394.v1
Subject:
Engineering,
Chemical Engineering
Keywords:
Explosive boiling; Molecular dynamics simulations; Liquid nanofilm; Nanostructurned surface; Onset time
Online: 18 January 2024 (11:02:42 CET)
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/preprints202401.0543.v1
Subject:
Engineering,
Electrical And Electronic Engineering
Keywords:
Photovoltaic Systems, Battery Storage, Peak Demand Reduction, Statistical Modeling, Time Series Clustering, Operational Optimization, and Monte Carlo Simulations.
Online: 8 January 2024 (10:03:28 CET)
ARTICLE
|
doi:10.20944/preprints202312.1357.v5
Subject:
Physical Sciences,
Fluids And Plasmas Physics
Keywords:
turbulence; fractal; anomalous dissipation; fixed point; velocity circulation; numerical simulations; GPU; loop equations
Online: 27 December 2023 (12:38:44 CET)
ARTICLE
|
doi:10.20944/preprints202312.1986.v1
Subject:
Physical Sciences,
Fluids And Plasmas Physics
Keywords:
Fluids; Numerical Simulations; Two Phases; Nucleate pool boiling
Online: 27 December 2023 (04:22:30 CET)
ARTICLE
|
doi:10.20944/preprints202312.1647.v1
Subject:
Chemistry And Materials Science,
Theoretical Chemistry
Keywords:
transition metal complexes; oxide nanomaterials; NiO; molecular precursors; chemical vapor deposition; density functional theory; simulations
Online: 21 December 2023 (14:40:00 CET)
ARTICLE
|
doi:10.20944/preprints202312.1374.v1
Subject:
Physical Sciences,
Condensed Matter Physics
Keywords:
Superconductivity; Bogoliubov-De Gennes formalism; bulk & films; superconducting gap; tight-binding simulations
Online: 19 December 2023 (09:47:55 CET)
REVIEW
|
doi:10.20944/preprints202312.0580.v2
Subject:
Physical Sciences,
Particle And Field Physics
Keywords:
Quantum Chromo dynamics (QCD); Parton distribution functions (PDFs); DGLAP evolution equation; Quarks and gluons; Monte Carlo simulations; Uncertainties in α s (MZ)
Online: 12 December 2023 (17:27:25 CET)
ARTICLE
|
doi:10.20944/preprints202311.1475.v1
Subject:
Engineering,
Electrical And Electronic Engineering
Keywords:
thermal energy harvesting; thermoelectric module; TEG; IoT; WSN; electrothermal simulations; thermalization effect
Online: 23 November 2023 (09:36:21 CET)
ARTICLE
|
doi:10.20944/preprints202311.1378.v1
Subject:
Chemistry And Materials Science,
Nanotechnology
Keywords:
nanomechanics; bistability; Duffing oscillators; spontaneous synchronization; pyridine-furan oligomers; computer simulations
Online: 22 November 2023 (08:41:03 CET)
ARTICLE
|
doi:10.20944/preprints202311.1300.v1
Subject:
Environmental And Earth Sciences,
Water Science And Technology
Keywords:
GR4J model; coastal discharge estimates; ungauged catchments; streamflow simulations; inverse distance squared method; Australia
Online: 21 November 2023 (10:05:12 CET)
ARTICLE
|
doi:10.20944/preprints202311.1148.v1
Subject:
Chemistry And Materials Science,
Applied Chemistry
Keywords:
DES; density; diffusion coefficient; viscosity; ionic conductivity; redox-flow batteries; molecular dynamics simulations
Online: 17 November 2023 (08:09:31 CET)
ARTICLE
|
doi:10.20944/preprints202311.1045.v1
Subject:
Computer Science And Mathematics,
Artificial Intelligence And Machine Learning
Keywords:
x-ray image; scatter correction; deep learning; dual energy; monte carlo simulations
Online: 16 November 2023 (07:43:59 CET)
ARTICLE
|
doi:10.20944/preprints202311.0938.v1
Subject:
Engineering,
Mechanical Engineering
Keywords:
operating table; CFRP composite; numerical simulations
Online: 15 November 2023 (02:05:24 CET)
REVIEW
|
doi:10.20944/preprints202311.0529.v1
Subject:
Public Health And Healthcare,
Primary Health Care
Keywords:
SARS-CoV-2; Papain-like protease; COVID-19; Molecular modelling; Molecular dynamics simulations; Drug discovery; Antiviral drugs; Inhibitors; Therapeutic agents; therapeutic targets; Irreversible inhibitors; Repurposing drugs
Online: 8 November 2023 (16:11:55 CET)
ARTICLE
|
doi:10.20944/preprints202311.0457.v1
Subject:
Physical Sciences,
Fluids And Plasmas Physics
Keywords:
Fluid dynamic limit; kinetic models; closure relations; discrete velocity simulations
Online: 8 November 2023 (01:35:51 CET)
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/preprints202310.2006.v1
Subject:
Physical Sciences,
Applied Physics
Keywords:
inductive power transfer; finite element analysis; Fibre Bragg Gratings; multi-physics simulations; experimental methodology; thermal strain; temperature measurement
Online: 31 October 2023 (07:55:39 CET)
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/preprints202309.1301.v1
Subject:
Physical Sciences,
Fluids And Plasmas Physics
Keywords:
Reynolds-Averaged Navier-Stokes equations; RANS simulations; Turbulence; Hydrodynamic instabilities and mixing; Reactive Tracers; Coupling; Model development and validation
Online: 20 September 2023 (02:47:58 CEST)
ARTICLE
|
doi:10.20944/preprints202309.1122.v1
Subject:
Engineering,
Civil Engineering
Keywords:
Dynamic response characteristics; Damage evolution; Tunnel portal slope; Shaking table tests; Numerical simulations
Online: 18 September 2023 (05:23:18 CEST)
ARTICLE
|
doi:10.20944/preprints202309.0319.v1
Subject:
Engineering,
Electrical And Electronic Engineering
Keywords:
hydropower systems; Francis turbine; synchronous generator; dynamic modeling; adaptive learning; simulations
Online: 6 September 2023 (02:39:00 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)
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/preprints202308.0828.v1
Subject:
Biology And Life Sciences,
Biophysics
Keywords:
global protein dynamics; software integration workflows; cryo-electron microscopy; normal mode analysis; elastic network models; ensemble analysis; principal component analysis; hybrid simulations
Online: 10 August 2023 (10:52:04 CEST)
REVIEW
|
doi:10.20944/preprints202308.0434.v1
Subject:
Medicine And Pharmacology,
Medicine And Pharmacology
Keywords:
In silico studies; drug discovery; SARS-CoV-2; molecular docking; virtual screening; molecular dynamics simulations; drug candidates; antiviral activity; receptor-ligand complex; drug design
Online: 4 August 2023 (11:11:21 CEST)
ARTICLE
|
doi:10.20944/preprints202308.0113.v1
Subject:
Physical Sciences,
Atomic And Molecular Physics
Keywords:
Keywords: gas stopping cell; supersonic gas jet; in-gas-jet laser resonance ionization spectroscopy; double-nozzle technique; RF-only funnel; RF-buncher; gas dynamic and Monte Carlo simulations
Online: 2 August 2023 (02:31:21 CEST)
ARTICLE
|
doi:10.20944/preprints202307.1926.v1
Subject:
Engineering,
Telecommunications
Keywords:
5G; mmWave; Massive MIMO; Machine Learning; Adaptive Beamforming; System Level Simulations.
Online: 28 July 2023 (03:22:42 CEST)
REVIEW
|
doi:10.20944/preprints202307.0630.v1
Subject:
Engineering,
Energy And Fuel Technology
Keywords:
Review; Machine Learning; Reservoir simulations; History matching; Production optimization; Production forecast
Online: 11 July 2023 (03:13:13 CEST)
ARTICLE
|
doi:10.20944/preprints202307.0602.v1
Subject:
Engineering,
Metallurgy And Metallurgical Engineering
Keywords:
dislocation plasticity; diffusion; hydrogen induced cracking; atomistic and multiscale simulations; local stresses; grain boundary
Online: 10 July 2023 (10:12:44 CEST)
ARTICLE
|
doi:10.20944/preprints202307.0218.v1
Subject:
Biology And Life Sciences,
Biophysics
Keywords:
biomembranes; cationic amphiphiles; fluorescent probe; membrane partition; molecular dynamics simulations; POPC
Online: 4 July 2023 (11:44:18 CEST)
ARTICLE
|
doi:10.20944/preprints202306.1393.v1
Subject:
Engineering,
Metallurgy And Metallurgical Engineering
Keywords:
aluminium alloy, hot rolling, simulations, metallography, mechanical properties
Online: 20 June 2023 (07:08:30 CEST)
ARTICLE
|
doi:10.20944/preprints202306.1231.v1
Subject:
Biology And Life Sciences,
Biochemistry And Molecular Biology
Keywords:
aneurysms; polyphenols; diffusion; stabilization; docking simulations; elastin; collagen; elastin-associated microfibrillar proteins
Online: 16 June 2023 (11:04:39 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/preprints202306.0595.v1
Subject:
Arts And Humanities,
Architecture
Keywords:
Vernacular housing; passive design strategies; indoor thermal environment; building energy performance; dynamic thermal simulations
Online: 8 June 2023 (05:17:24 CEST)
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/preprints202305.2216.v1
Subject:
Computer Science And Mathematics,
Applied Mathematics
Keywords:
Mathematical modeling; Bifurcation analysis; Global stability; Direction of Hopf bifurcation; Numerical simulations
Online: 31 May 2023 (10:42:32 CEST)
ARTICLE
|
doi:10.20944/preprints202305.2183.v1
Subject:
Computer Science And Mathematics,
Artificial Intelligence And Machine Learning
Keywords:
immersive media; virtual reality; empathy; empathy-building simulations
Online: 31 May 2023 (07:32:34 CEST)
ARTICLE
|
doi:10.20944/preprints202305.0352.v1
Subject:
Computer Science And Mathematics,
Mathematical And Computational Biology
Keywords:
Mathematical model; Basic reproduction number; Stability theory; Forward bifurcation; Minimum principle; Numerical simulations
Online: 5 May 2023 (10:40:07 CEST)
ARTICLE
|
doi:10.20944/preprints202305.0318.v1
Subject:
Engineering,
Mechanical Engineering
Keywords:
Taiko Wafers; Finite Elements Analysis (FEA); ANSYS thermomechanical simulations
Online: 5 May 2023 (07:36:04 CEST)
REVIEW
|
doi:10.20944/preprints202305.0179.v1
Subject:
Physical Sciences,
Condensed Matter Physics
Keywords:
computer simulations polymeric fluid; polymer melt; Rouse model; Rouse dynamics
Online: 4 May 2023 (03:56:59 CEST)
ARTICLE
|
doi:10.20944/preprints202304.1138.v1
Subject:
Engineering,
Mechanical Engineering
Keywords:
Dynamic Mode Decomposition (DMD); Computational Fluid Dynamics (CFD); Reduced Order Method (ROM); Ahmed Body; Turbulent Flows; High Reynolds Number Flows; Improved Delayed Detached Eddy Simulations (IDDES); Road Vehicle Aerodynamics
Online: 28 April 2023 (07:57:31 CEST)
ARTICLE
|
doi:10.20944/preprints202304.1099.v1
Subject:
Engineering,
Other
Keywords:
multifunctional facade panel; phase change material (PCM); hot box testing; thermal transmittance; numerical simulations
Online: 28 April 2023 (03:49:21 CEST)
ARTICLE
|
doi:10.20944/preprints202304.0983.v1
Subject:
Environmental And Earth Sciences,
Water Science And Technology
Keywords:
CMADS; CFSR; meteorological variables; hydrological simulations; SWAT+; upper Lancang-Mekong River Basin
Online: 26 April 2023 (11:29:40 CEST)
ARTICLE
|
doi:10.20944/preprints202304.0959.v1
Subject:
Engineering,
Mechanical Engineering
Keywords:
machine learning; mechanical damage detection; pipelines; physics-informed datasets; simulations; welding detection; CNN structure optimization; sensing system; data classification performance and noise robustness
Online: 26 April 2023 (04:59:54 CEST)
ARTICLE
|
doi:10.20944/preprints202304.0727.v1
Subject:
Physical Sciences,
Condensed Matter Physics
Keywords:
Spin Crossover SCO; thermal transition; elastic frustration; MC simulations
Online: 21 April 2023 (14:27:50 CEST)
ARTICLE
|
doi:10.20944/preprints202304.0251.v1
Subject:
Physical Sciences,
Atomic And Molecular Physics
Keywords:
radioactive atomic beams; gas stopping cell; supersonic gas jet; in-gas-jet laser resonance ionization spectroscopy; double-nozzle technique; gas dynamic and Monte Carlo simulations
Online: 12 April 2023 (07:30:00 CEST)
ARTICLE
|
doi:10.20944/preprints202304.0026.v1
Subject:
Chemistry And Materials Science,
Biomaterials
Keywords:
M13 bacteriophage; Metallic nanoparticles; Plasmonics; Dynamic response; Self-assembly; Simulations
Online: 3 April 2023 (11:13:17 CEST)
ARTICLE
|
doi:10.20944/preprints202302.0420.v1
Subject:
Environmental And Earth Sciences,
Atmospheric Science And Meteorology
Keywords:
Cirrus clouds; Relative humidity; Parcel model; Large-ensemble simulations
Online: 24 February 2023 (07:15:52 CET)
ARTICLE
|
doi:10.20944/preprints202301.0179.v1
Subject:
Physical Sciences,
Applied Physics
Keywords:
simulation hypothesis; simulating reality; resolution of a simulation; nested simulations; Nyquist-Shannon sampling theorem; probability
Online: 10 January 2023 (07:42:05 CET)
ARTICLE
|
doi:10.20944/preprints202211.0100.v1
Subject:
Computer Science And Mathematics,
Applied Mathematics
Keywords:
COVID-19; mathematical modelling; stability; dynamic social processes; simulations
Online: 7 November 2022 (02:21:34 CET)
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/preprints202210.0398.v1
Subject:
Chemistry And Materials Science,
Organic Chemistry
Keywords:
Perfluorinated derivatives; Nucleophilic Aromatic Substitution; Bioconjugation; IR and 19F-NMR simulations; Molecular Docking
Online: 26 October 2022 (04:01:55 CEST)
ARTICLE
|
doi:10.20944/preprints202209.0184.v1
Subject:
Chemistry And Materials Science,
Polymers And Plastics
Keywords:
unentangled systems; constitutive modeling; materials functions; non-affine parameter; slip parameter; conformation tensor; NEMD simulations; atomistic simulations; polyethylene
Online: 14 September 2022 (02:54:18 CEST)
ARTICLE
|
doi:10.20944/preprints202208.0038.v1
Subject:
Physical Sciences,
Fluids And Plasmas Physics
Keywords:
ICF; shock compression; void collapse; hydrodynamic simulations; hydrodynamic instabilities
Online: 2 August 2022 (04:57:30 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/preprints202207.0058.v1
Subject:
Biology And Life Sciences,
Biophysics
Keywords:
human interferon gamma; human interferon gamma receptor; receptor binding; heparan sulfate; co-receptor; molecular dynamics simulations; sodium chlorate; kynurenine antiproliferative assays; hIFNγ signalling
Online: 5 July 2022 (04:43:05 CEST)
ARTICLE
|
doi:10.20944/preprints202207.0005.v1
Subject:
Engineering,
Energy And Fuel Technology
Keywords:
Maroon gas; synthetic natural gas; Pink Hydrogen; hydrogen source-water, hydrogen source-hydrocarbon; energy efficient hydro-gen; Thermodynamic simulations; FACTSAGE; DWSIM
Online: 1 July 2022 (07:55:58 CEST)
ARTICLE
|
doi:10.20944/preprints202206.0348.v1
Subject:
Chemistry And Materials Science,
Medicinal Chemistry
Keywords:
Naltrexone; mu-opioid receptor; MD simulations; MMGBSA; binding free energy
Online: 27 June 2022 (04:09:30 CEST)
ARTICLE
|
doi:10.20944/preprints202203.0340.v1
Subject:
Chemistry And Materials Science,
Theoretical Chemistry
Keywords:
Monte Carlo simulations; self-assembled overlayers; openwork structures; surface nanopatterns; positional isomers
Online: 25 March 2022 (07:53:52 CET)
ARTICLE
|
doi:10.20944/preprints202201.0401.v1
Subject:
Medicine And Pharmacology,
Oncology And Oncogenics
Keywords:
Interstitial Hyperthermia; Automated treatment planning; Electromagnetic simulations; ThermoBrachytherapy; High dose rate brachytherapy; Quasistatic simulations; Capacitive heating; Treatment plan optimization; Finite-Difference Time-Domain; Gamma index analysis.
Online: 26 January 2022 (13:14:59 CET)
ARTICLE
|
doi:10.20944/preprints202201.0215.v1
Subject:
Engineering,
Mechanical Engineering
Keywords:
Bifurcation; Wafer; Spontaneous Symmetry Breaking; Finite Element Analysis (FEA); Simulations
Online: 14 January 2022 (14:31:12 CET)
ARTICLE
|
doi:10.20944/preprints202201.0160.v1
Subject:
Computer Science And Mathematics,
Probability And Statistics
Keywords:
Multilevel Principal Components Analysis (mPCA); 3D shape analysis; Monte Carlo simulations
Online: 12 January 2022 (10:44:23 CET)
ARTICLE
|
doi:10.20944/preprints202112.0275.v1
Subject:
Physical Sciences,
Applied Physics
Keywords:
Physics simulations; Neural Networks; Electronic design; Heat equation
Online: 16 December 2021 (14:55:05 CET)
ARTICLE
|
doi:10.20944/preprints202110.0178.v1
Subject:
Biology And Life Sciences,
Biochemistry And Molecular Biology
Keywords:
cardiac muscle; cardiac contractility; force generation; enhanced molecular dynamics simulations; allostery; protein folding; disease; hypertrophic cardiomyopathy
Online: 12 October 2021 (12:20:26 CEST)
ARTICLE
Subject:
Physical Sciences,
Applied Physics
Keywords:
ECR plasmas; warm electrons; self-consistent simulations; experimental benchmarking; volumetric and space-resolved spectra; X-ray fluorescence; bremsstrahlung; ray-tracing Monte Carlo techniques
Online: 5 October 2021 (08:58:06 CEST)
ARTICLE
Subject:
Chemistry And Materials Science,
Food Chemistry
Keywords:
pomegranate tannins; ellagic acid; molecular modelling; α2-adrenoreceptors; α2-ARs; molecular dynamic simulations; antioxidant; natural compounds; antidepressant activity; food chemistry
Online: 1 October 2021 (14:27:20 CEST)
ARTICLE
|
doi:10.20944/preprints202109.0339.v1
Subject:
Chemistry And Materials Science,
Biomaterials
Keywords:
Polysaccharide biomaterials; capsule polymerases; galactosyltransferase; molecular dynamics simulations; bioremediation; protein engineering; Neisseria meningitidis
Online: 20 September 2021 (15:08:47 CEST)
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/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)
COMMUNICATION
|
doi:10.20944/preprints202109.0225.v1
Subject:
Chemistry And Materials Science,
Nanotechnology
Keywords:
Self-assembly; Metallic nanoparticles; Plasmonic modes; Simulations; Surface charge mappings; Full-width three-quarter maximum
Online: 14 September 2021 (08:45:05 CEST)
REVIEW
Subject:
Engineering,
Civil Engineering
Keywords:
T-stub; Method of Components; Eurocodes; Finite Element Simulations; Experimental Tests
Online: 10 August 2021 (08:43:00 CEST)
REVIEW
|
doi:10.20944/preprints202105.0219.v2
Subject:
Biology And Life Sciences,
Biochemistry And Molecular Biology
Keywords:
Logic-based models; Boolean models; executable models; qualitative dynamical modelling; omic data integration; in silico simulations; formal verification
Online: 30 July 2021 (15:05:03 CEST)
ARTICLE
|
doi:10.20944/preprints202107.0655.v1
Subject:
Chemistry And Materials Science,
Biomaterials
Keywords:
cast iron with lamellar graphite; graphite microstructure; mechanical properties; thermal properties; material properties; microstructure simulations; homogenization; material data workflow
Online: 29 July 2021 (12:33:20 CEST)
ARTICLE
Subject:
Physical Sciences,
Acoustics
Keywords:
X-ray; Gel dosimeters; EGS5; Monte Carlo simulations; percentage depth dose; polydiacetylene
Online: 27 July 2021 (09:23:39 CEST)
ARTICLE
|
doi:10.20944/preprints202107.0079.v1
Subject:
Computer Science And Mathematics,
Algebra And Number Theory
Keywords:
online laboratories; virtual laboratories; Covid-19; simulations; science; school
Online: 5 July 2021 (08:16:17 CEST)
ARTICLE
|
doi:10.20944/preprints202107.0039.v1
Subject:
Biology And Life Sciences,
Biophysics
Keywords:
Mixed-chain lipids; Neutron scattering; X-ray scattering; MD simulations
Online: 1 July 2021 (22:26:58 CEST)
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)
ARTICLE
|
doi:10.20944/preprints202106.0021.v1
Subject:
Engineering,
Automotive Engineering
Keywords:
urban flows; turbulence; well-resolved large-eddy simulations
Online: 1 June 2021 (10:43:13 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/preprints202105.0011.v1
Subject:
Biology And Life Sciences,
Biochemistry And Molecular Biology
Keywords:
Annocatacin B; ND1 Subunit; Mitochondrial Respiratory Complex I; MRC-I; Molecular Dynamics Simulations; MD; Hirshfeld Charges; MM/PBSA
Online: 3 May 2021 (16:13:49 CEST)
COMMUNICATION
|
doi:10.20944/preprints202104.0524.v1
Subject:
Chemistry And Materials Science,
Biomaterials
Keywords:
machine learning; Gaussian; nanoparticles; descriptors; docking; simulations; PLGA
Online: 20 April 2021 (09:47:24 CEST)