Search Results
33404 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)
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/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/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/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/preprints202306.1963.v1
Subject:
Medicine And Pharmacology,
Oncology And Oncogenics
Keywords:
Glioblastoma Multiform (GBM); Cancer Stem Cella (CSC); Molecular Dynamics Simulation; In-silico; Phytochemical Screening; FOXM1; ADMET
Online: 28 June 2023 (08:23:27 CEST)
ARTICLE
|
doi:10.20944/preprints201812.0336.v1
Subject:
Biology And Life Sciences,
Immunology And Microbiology
Keywords:
complement factor H (CFH); molecular docking; molecular dynamics (MD) simulation; computational alanine scanning (CAS); experimental alanine scanning (EAS)
Online: 28 December 2018 (06:55:53 CET)
ARTICLE
|
doi:10.20944/preprints201608.0055.v1
Subject:
Environmental And Earth Sciences,
Remote Sensing
Keywords:
seismic damage building; watershed segmentation; SAR; texture feature; change detection
Online: 5 August 2016 (12:19:24 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/preprints202402.1721.v1
Subject:
Biology And Life Sciences,
Neuroscience And Neurology
Keywords:
Alzheimer’s disease; induced pluripotent stem cells; neurodegeneration; AMPA; glutamate
Online: 29 February 2024 (12:58:21 CET)
ARTICLE
Subject:
Medicine And Pharmacology,
Pharmacology And Toxicology
Keywords:
COVID-19; SARS-CoV-2; 3CLpro; PLpro; RdRp; AAK1; inhibitor; dock; molecular dynamics
Online: 15 March 2020 (02:34:14 CET)
ARTICLE
|
doi:10.20944/preprints202404.1782.v1
Subject:
Mathematical And Computational Biology,
Computer Science And Mathematics
Keywords:
peptide; histones; docking; refinement; molecular dynamics; water
Online: 26 April 2024 (19:23:39 CEST)
ARTICLE
|
doi:10.20944/preprints201610.0062.v1
Subject:
Environmental And Earth Sciences,
Geophysics And Geology
Keywords:
Qinghai-Tibet Plateau; geoid anomaly inversion; crustal and upper mantle density construction
Online: 15 October 2016 (08:25:13 CEST)
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)
REVIEW
|
doi:10.20944/preprints201609.0022.v1
Subject:
Medicine And Pharmacology,
Psychiatry And Mental Health
Keywords:
Pervasive developmental disorder; Autism spectrum disorder (ASD); brain network; Theory of Mind (ToM); Music Therapy (MT); therapeutic effect
Online: 6 September 2016 (11:53:58 CEST)
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/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)
REVIEW
|
doi:10.20944/preprints201904.0201.v1
Subject:
Chemistry And Materials Science,
Theoretical Chemistry
Keywords:
systems chemistry; systems protobiology; molecular dynamics; GARD; lipid world; micelle; origin of life
Online: 17 April 2019 (11:29:27 CEST)
ARTICLE
|
doi:10.20944/preprints202011.0292.v1
Subject:
Biology And Life Sciences,
Biochemistry And Molecular Biology
Keywords:
Alzheimer's disease; BACE1; Molecular dynamics; MM/GBSA; Inhibitors; Drug likeness; Ligand efficiency, Kd.
Online: 10 November 2020 (09:10:50 CET)
ARTICLE
|
doi:10.20944/preprints201611.0131.v1
Subject:
Biology And Life Sciences,
Food Science And Technology
Keywords:
adaptation; mental model refinement; food systems; knowledge management participatory modeling; system dynamics; systems thinking
Online: 27 November 2016 (04:12:49 CET)
ARTICLE
|
doi:10.20944/preprints202112.0296.v1
Subject:
Medicine And Pharmacology,
Pharmacology And Toxicology
Keywords:
Plasmodium falciparum dihydroorotate dehydrogenase; fragment-based drug design; 2D-QSAR; DFT calculation; Lead optimization; Induced Fit docking
Online: 20 December 2021 (09:39:42 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/preprints202404.0026.v1
Subject:
Public Health And Healthcare,
Public Health And Health Services
Keywords:
Bartonella; small mammals; genetic diversity; evolution; tissue tropism
Online: 1 April 2024 (17:07:19 CEST)
ARTICLE
|
doi:10.20944/preprints202401.1836.v1
Subject:
Medicine And Pharmacology,
Medicine And Pharmacology
Keywords:
Malaria; Virtual Screening; Molecular Dynamics Simulation; Pharmacophore; Modelling; Ligand
Online: 25 January 2024 (14:26:11 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/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/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)
REVIEW
|
doi:10.20944/preprints201610.0100.v1
Subject:
Medicine And Pharmacology,
Oncology And Oncogenics
Keywords:
BET; bromodomain; histone acetylation; gene transcription; BET inhibitor
Online: 24 October 2016 (05:06:56 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)
ARTICLE
|
doi:10.20944/preprints201712.0159.v1
Subject:
Computer Science And Mathematics,
Analysis
Keywords:
mathematical modeling; biological networks; sensitivity analysis; programmed cell death; single cell dynamics; cell population
Online: 22 December 2017 (01:48:00 CET)
REVIEW
|
doi:10.20944/preprints202403.0086.v1
Subject:
Biology And Life Sciences,
Biology And Biotechnology
Keywords:
Circulating tumor cells; liquid biopsy; cancer research; metastasis; personalized medicine; single-cell sequencing; biomarkers.
Online: 4 March 2024 (09:27:46 CET)
ARTICLE
|
doi:10.20944/preprints202003.0393.v1
Subject:
Biology And Life Sciences,
Biophysics
Keywords:
SARS-CoV2; RNA depended RNA polymerase; Valproic acid Co-A; drug repurposing
Online: 26 March 2020 (15:04:22 CET)
ARTICLE
|
doi:10.20944/preprints202308.1606.v1
Subject:
Chemistry And Materials Science,
Surfaces, Coatings And Films
Keywords:
molecular dynamic simulation; interplane distance; graphene; surface relaxation; surface reconstruction; packing density
Online: 23 August 2023 (04:40:21 CEST)
ARTICLE
|
doi:10.20944/preprints202305.0234.v1
Subject:
Engineering,
Mechanical Engineering
Keywords:
Molecular dynamics; LAMMPS; displacement cascade; defects
Online: 4 May 2023 (08:27:04 CEST)
TECHNICAL NOTE
|
doi:10.20944/preprints202012.0179.v1
Subject:
Engineering,
Automotive Engineering
Keywords:
Python; Molecular Dynamics; Scientific Computing; Periodic Boundary Condition
Online: 8 December 2020 (06:47:59 CET)
ARTICLE
|
doi:10.20944/preprints202404.1169.v1
Subject:
Biology And Life Sciences,
Biochemistry And Molecular Biology
Keywords:
p53; interferon; STAT1; NK-92; caspase-1; innate immunity
Online: 17 April 2024 (14:47:03 CEST)
REVIEW
|
doi:10.20944/preprints202403.0663.v1
Subject:
Biology And Life Sciences,
Biochemistry And Molecular Biology
Keywords:
vault RNA; drug resistance; apoptosis; autophagy; cancer; aging; cellular metabolism; non-coding RNAs; cancer therapy
Online: 12 March 2024 (13:41:58 CET)
REVIEW
|
doi:10.20944/preprints202401.1957.v2
Subject:
Biology And Life Sciences,
Biochemistry And Molecular Biology
Keywords:
BRAF; solid tumors; NGS; targeted therapy; therapy resistance
Online: 12 February 2024 (11:02:18 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/preprints202009.0006.v2
Subject:
Biology And Life Sciences,
Biochemistry And Molecular Biology
Keywords:
COVID-19; SARS-CoV-2; protein design; complementarity; competitive inhibitor; homology-based threading in rational protein design
Online: 4 March 2021 (10:14:39 CET)
ARTICLE
|
doi:10.20944/preprints202404.0995.v1
Subject:
Chemistry And Materials Science,
Physical Chemistry
Keywords:
halogens; chemical bonding; halogen bonding; Raman spectroscopy
Online: 16 April 2024 (07:31:37 CEST)
REVIEW
|
doi:10.20944/preprints202309.0495.v3
Subject:
Biology And Life Sciences,
Ecology, Evolution, Behavior And Systematics
Keywords:
phylogenomics; synteny; chromosomes; long-read sequencing; tree of life; orthology; phylogenetic trees; incongruence
Online: 9 February 2024 (09:15:51 CET)
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)
REVIEW
|
doi:10.20944/preprints201608.0043.v1
Subject:
Biology And Life Sciences,
Virology
Keywords:
enveloped viruses; viral glycoproteins; endoplasmic reticulum-associated degradation; ERAD; unfolded protein response; UPR; ER stress
Online: 4 August 2016 (11:44:59 CEST)
ARTICLE
|
doi:10.20944/preprints201609.0048.v1
Subject:
Biology And Life Sciences,
Plant Sciences
Keywords:
oligopeptide transporters (OPTs); Medicago truncatula; phylogenetic analysis; gene express
Online: 15 September 2016 (08:39:23 CEST)
ARTICLE
|
doi:10.20944/preprints201703.0051.v1
Subject:
Physical Sciences,
Particle And Field Physics
Keywords:
classical gauge theory; pair creation/annihilation; temporal paradoxes
Online: 8 March 2017 (09:06:25 CET)
REVIEW
|
doi:10.20944/preprints202403.0598.v1
Subject:
Biology And Life Sciences,
Biochemistry And Molecular Biology
Keywords:
FMRP; RNA-binding; fragile X mental retardation protein; protein interaction network; stress granule
Online: 11 March 2024 (09:42:49 CET)
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/preprints202404.1211.v1
Subject:
Biology And Life Sciences,
Virology
Keywords:
viral metagenomics; respiratory virome; torque teno virus; torque teno mini virus; torque teno midi virus; anelloviruses; human anellovirus; Anelloviridae; anellome
Online: 18 April 2024 (07:51:19 CEST)
ARTICLE
|
doi:10.20944/preprints202305.2049.v1
Subject:
Physical Sciences,
Condensed Matter Physics
Keywords:
carbon nanotube, polymer composite, molecular dynamics simulation, elastic modulus
Online: 30 May 2023 (05:01:48 CEST)
REVIEW
|
doi:10.20944/preprints202009.0199.v1
Subject:
Physical Sciences,
Atomic And Molecular Physics
Keywords:
dissipative structure; energy conversion; mechanical work; self-oscillation; collective dynamics; autonomous motion; self-replication; autocatalysis; molecular motor; molecular robot
Online: 9 September 2020 (05:24:42 CEST)
ARTICLE
|
doi:10.20944/preprints201901.0097.v1
Subject:
Chemistry And Materials Science,
Theoretical Chemistry
Keywords:
2-Hydroxypropyl-β-cyclodextrin (HPβCD); Replica exchange molecular dynamics (REMD); Conformational change; Cavity self-closure
Online: 10 January 2019 (11:43:44 CET)
ARTICLE
|
doi:10.20944/preprints201806.0023.v2
Subject:
Biology And Life Sciences,
Biochemistry And Molecular Biology
Keywords:
molecular dynamics simulation; 17β-estradiol; DNA-aptamer; GROMACS; modeling
Online: 12 July 2018 (11:29:54 CEST)
ARTICLE
|
doi:10.20944/preprints201612.0115.v1
Subject:
Chemistry And Materials Science,
Materials Science And Technology
Keywords:
discrete element method; hypervelocity impact; debris cloud; fragmentation; space debris; multiscale modeling; computer simulation; high performance computing
Online: 23 December 2016 (10:21:21 CET)
OPINION
|
doi:10.20944/preprints201608.0016.v1
Subject:
Biology And Life Sciences,
Biochemistry And Molecular Biology
Keywords:
parallel DNA; antiparallel DNA; PCR; CRISPR; nucleic acid hybridization; microarray; siRNA
Online: 2 August 2016 (10:42:27 CEST)
ARTICLE
|
doi:10.20944/preprints202107.0215.v1
Subject:
Chemistry And Materials Science,
Biomaterials
Keywords:
DFT; HOMO; LUMO; MEP; FMO; RDG; ADMET
Online: 9 July 2021 (10:22:59 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)
REVIEW
|
doi:10.20944/preprints202403.1654.v1
Subject:
Biology And Life Sciences,
Plant Sciences
Keywords:
differentially expressed genes; medicinal species; plant organs; secondary metabolites; plant transcriptome; stress
Online: 27 March 2024 (08:17:18 CET)
BRIEF REPORT
|
doi:10.20944/preprints202406.1083.v1
Subject:
Materials Science And Technology,
Chemistry And Materials Science
Keywords:
Indium nitride; ab-initio; p-T phase diagram; thermal decomposition; N2 molecule
Online: 17 June 2024 (07:57:34 CEST)
ARTICLE
|
doi:10.20944/preprints202401.1911.v1
Subject:
Chemistry And Materials Science,
Ceramics And Composites
Keywords:
Al2O3, Fracture Toughness, Density Functional Theory, Molecular Dynamics
Online: 26 January 2024 (11:55:29 CET)
ARTICLE
|
doi:10.20944/preprints202211.0253.v1
Subject:
Chemistry And Materials Science,
Food Chemistry
Keywords:
Low-field NMR; Two-dimensional nuclear magnetic resonance; Edible oil; Chain length; rotation correlation time
Online: 14 November 2022 (10:51:18 CET)
ARTICLE
|
doi:10.20944/preprints202111.0381.v1
Subject:
Biology And Life Sciences,
Biochemistry And Molecular Biology
Keywords:
Multi-scale molecular dynamics; IBI; CBNs
Online: 22 November 2021 (11:08:58 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/preprints202305.0678.v1
Subject:
Engineering,
Metallurgy And Metallurgical Engineering
Keywords:
Steel slag; CO2 sequestration; CCUS; Molecular dynamics simulation
Online: 10 May 2023 (03:51:50 CEST)
ARTICLE
|
doi:10.20944/preprints202111.0088.v1
Subject:
Chemistry And Materials Science,
Surfaces, Coatings And Films
Keywords:
Liquids; Confinement; Stress Relaxation; Molecular Dynamics; Hysteresis
Online: 3 November 2021 (14:56:25 CET)
ARTICLE
|
doi:10.20944/preprints201811.0223.v1
Subject:
Physical Sciences,
Condensed Matter Physics
Keywords:
multi-scale modeling; lubrication; viscous heating; entangled polymeric liquid
Online: 8 November 2018 (15:00:16 CET)
ARTICLE
|
doi:10.20944/preprints201804.0284.v1
Subject:
Biology And Life Sciences,
Biophysics
Keywords:
peptide; self-assembly; molecular dynamics; peptergency; beta structure
Online: 23 April 2018 (11:27:51 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/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/preprints202309.1653.v2
Subject:
Biology And Life Sciences,
Biochemistry And Molecular Biology
Keywords:
p53; MDM2; DUSP13; alternative promoter; dual-specificity phosphatase
Online: 26 February 2024 (16:55:16 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/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/preprints202310.0042.v1
Subject:
Engineering,
Mechanical Engineering
Keywords:
bilayer graphene; in-plane and cross-plane thermal conductivities; non-equilibrium molecular dynamics; anisotropic thermal transport
Online: 2 October 2023 (05:09:39 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/preprints201810.0110.v1
Subject:
Chemistry And Materials Science,
Materials Science And Technology
Keywords:
Alignment, Magnetic field, Hexagonal, Lyotropic liquid crystals, Nanofiltration, in situ small angle X-ray scattering (SAXS)
Online: 5 October 2018 (16:33:35 CEST)
ARTICLE
|
doi:10.20944/preprints201612.0074.v1
Subject:
Biology And Life Sciences,
Plant Sciences
Keywords:
AmRosea1 gene; transcriptome analysis; drought tolerance; salt tolerance; rice
Online: 14 December 2016 (09:16:50 CET)
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/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/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)
ARTICLE
|
doi:10.20944/preprints201801.0069.v1
Subject:
Chemistry And Materials Science,
Theoretical Chemistry
Keywords:
meta-aminobenzoic acid; solvation; aggregation; polymorphism; atomistic simulations
Online: 8 January 2018 (12:12:25 CET)
ARTICLE
|
doi:10.20944/preprints202401.2026.v1
Subject:
Engineering,
Mining And Mineral Processing
Keywords:
red mud; hydrochloric acid; desorption; density functional theory; molecular dynamics
Online: 29 January 2024 (12:33:32 CET)
ARTICLE
|
doi:10.20944/preprints202109.0178.v1
Subject:
Chemistry And Materials Science,
Surfaces, Coatings And Films
Keywords:
molecular dynamics; functional particles; jamming; shear thickening; viscosity; diffusivity
Online: 9 September 2021 (11:45:32 CEST)
ARTICLE
|
doi:10.20944/preprints201811.0250.v1
Subject:
Physical Sciences,
Mathematical Physics
Keywords:
High-Throughput Molecular Dynamics (HTMD) simulations; Nosé-Hoover Chain (NHC); Canonical ensemble; Graphics Processing Units (GPUs).
Online: 9 November 2018 (15:26:49 CET)
ARTICLE
|
doi:10.20944/preprints201612.0065.v1
Subject:
Chemistry And Materials Science,
Organic Chemistry
Keywords:
monodisperse silica nanospheres; supported platinum(IV) complex; peptide; intramolecular disulfide; reusability
Online: 12 December 2016 (17:54:08 CET)
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)
REVIEW
|
doi:10.20944/preprints202402.1252.v1
Subject:
Biology And Life Sciences,
Biochemistry And Molecular Biology
Keywords:
Iron-sulfur clusters; iron metabolism; iron sensing; IRE; PAIR; Aft1/2; IRP1/2; RirA; Yap5; ACO1; IREB2; HSCB
Online: 22 February 2024 (09:23:28 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/preprints202403.0934.v1
Subject:
Medicine And Pharmacology,
Epidemiology And Infectious Diseases
Keywords:
riboflavin; biofilms; vitamin B2; carbapenems; fractional inhibitory concentration; 3D chequerboard
Online: 15 March 2024 (15:02:25 CET)
ARTICLE
|
doi:10.20944/preprints202406.0382.v1
Subject:
Biology And Biotechnology,
Biology And Life Sciences
Keywords:
Vector Dynamics; Molecular Surveillance; Climate Change; Real-Time PCR; Vector-Borne Diseases; Epidemiology
Online: 7 June 2024 (02:48:41 CEST)
ARTICLE
Subject:
Biology And Life Sciences,
Neuroscience And Neurology
Keywords:
neural differentiation; regulatory motif; feedback regulation; signaling pathway; mathematical models
Online: 24 December 2019 (11:20:25 CET)
ARTICLE
|
doi:10.20944/preprints201803.0265.v1
Subject:
Chemistry And Materials Science,
Surfaces, Coatings And Films
Keywords:
lubricant additives; boundary lubrication; ab initio molecular dynamics; tribochemistry; organophosphorus additives
Online: 30 March 2018 (09:57:07 CEST)
ARTICLE
|
doi:10.20944/preprints202402.1692.v1
Subject:
Biology And Life Sciences,
Life Sciences
Keywords:
electrolyzed hydrogen water; reactive oxygen species; oxidative stress; drinking water; near infrared spectroscopy; aquaphotomics; aquagram; solvation shells; free water molecules
Online: 29 February 2024 (09:49:42 CET)
ARTICLE
|
doi:10.20944/preprints202402.0753.v1
Subject:
Medicine And Pharmacology,
Neuroscience And Neurology
Keywords:
traumatic brain injury; hindlimb postural asymmetry; motor deficits; extracellular matrix; laminin; collagen type IV
Online: 13 February 2024 (15:29:10 CET)
COMMUNICATION
|
doi:10.20944/preprints201701.0037.v1
Subject:
Chemistry And Materials Science,
Organic Chemistry
Keywords:
4-pyrones; diynones; water; transition-metal-free
Online: 9 January 2017 (04:46:22 CET)
ARTICLE
|
doi:10.20944/preprints202302.0059.v1
Subject:
Biology And Life Sciences,
Biophysics
Keywords:
hSERT; comprehensive molecular dynamics (MD) simulation; drug design; MM/GBSA
Online: 3 February 2023 (06:16:06 CET)
ARTICLE
|
doi:10.20944/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/preprints202305.2199.v1
Subject:
Medicine And Pharmacology,
Neuroscience And Neurology
Keywords:
esketamine; arketamine; bioinformatical analysis; depression; suicide
Online: 31 May 2023 (08:24:53 CEST)
ARTICLE
|
doi:10.20944/preprints202402.1748.v1
Subject:
Medicine And Pharmacology,
Immunology And Allergy
Keywords:
recurrent pregnancy loss; single nucleotide gene polymorphism (SNP); microsomal epoxy hydrolase (mEPH); endothelial Nitric oxide synthase (eNOS); rs1051740; rs1799983
Online: 29 February 2024 (14:07:05 CET)
ARTICLE
|
doi:10.20944/preprints202402.1128.v1
Subject:
Biology And Life Sciences,
Other
Keywords:
essential hypertension; South Africa; Mixed Ancestry; Xhosa; RAAS; AGTR1; AGT; ACE; CYP11B2
Online: 20 February 2024 (09:20:43 CET)