Found: 27
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In-layer inhomogeneity of molecular dynamics in quasi-liquid layers of ice.
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- Communications Chemistry, 2024, v. 7, n. 1, p. 1, doi. 10.1038/s42004-024-01197-0
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- Article
Learned pseudo-random number generator: WGAN-GP for generating statistically robust random numbers.
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- PLoS ONE, 2023, v. 17, n. 6, p. 1, doi. 10.1371/journal.pone.0287025
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- Article
Differences in ligand-induced protein dynamics extracted from an unsupervised deep learning approach correlate with protein–ligand binding affinities.
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- Communications Biology, 2022, v. 5, n. 1, p. 1, doi. 10.1038/s42003-022-03416-7
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- Article
Natural quantum reservoir computing for temporal information processing.
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- Scientific Reports, 2022, v. 12, n. 1, p. 1, doi. 10.1038/s41598-022-05061-w
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- Article
The influence of random number generation in dissipative particle dynamics simulations using a cryptographic hash function.
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- PLoS ONE, 2021, v. 16, n. 4, p. 1, doi. 10.1371/journal.pone.0250593
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- Article
Phase Transitions and Hysteresis for a Simple Model Liquid Crystal by Replica-Exchange Monte Carlo Simulations.
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- Molecules, 2021, v. 26, n. 5, p. 1421, doi. 10.3390/molecules26051421
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- Article
Dataflow programming for the analysis of molecular dynamics with AViS, an analysis and visualization software application.
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- PLoS ONE, 2020, v. 15, n. 4, p. 1, doi. 10.1371/journal.pone.0231714
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- Article
Effect of Central Longitudinal Dipole Interactions on Chiral Liquid-Crystal Phases.
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- International Journal of Molecular Sciences, 2018, v. 19, n. 9, p. 2715, doi. 10.3390/ijms19092715
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A fast and accurate computational method for the linear-combination-based isotropic periodic sum.
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- Scientific Reports, 2018, v. 8, n. 1, p. 1, doi. 10.1038/s41598-018-30364-2
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- Article
Water Molecules in a Carbon Nanotube under an Applied Electric Field at Various Temperatures and Pressures.
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- Water (20734441), 2017, v. 9, n. 7, p. 473, doi. 10.3390/w9070473
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Water permeation through the internal water pathway in activated GPCR rhodopsin.
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- PLoS ONE, 2017, v. 12, n. 5, p. 1, doi. 10.1371/journal.pone.0176876
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- Article
Molecular Dynamics Simulations for Resolving Scaling Laws of Polyethylene Melts.
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- Polymers (20734360), 2017, v. 9, n. 1, p. 24, doi. 10.3390/polym9010024
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- Article
Anomalous Dynamics of a Lipid Recognition Protein on a Membrane Surface.
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- Scientific Reports, 2015, p. 18245, doi. 10.1038/srep18245
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- Article
Comparison of the Accuracy of Periodic Reaction Field Methods in Molecular Dynamics Simulations of a Model Liquid Crystal System.
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- Journal of Computational Chemistry, 2015, v. 36, n. 32, p. 2406, doi. 10.1002/jcc.24222
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- Article
Origin of 1/f noise in hydration dynamics on lipid membrane surfaces.
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- Scientific Reports, 2015, p. 8876, doi. 10.1038/srep08876
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- Article
Water Confined in the Local Field of Ions.
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- ChemPhysChem, 2014, v. 15, n. 18, p. 4077, doi. 10.1002/cphc.201402381
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- Article
Observation of Interstitial Molecular Hydrogen in Clathrate Hydrates.
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- Angewandte Chemie, 2014, v. 126, n. 40, p. 10886, doi. 10.1002/ange.201406546
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- Article
Observation of Interstitial Molecular Hydrogen in Clathrate Hydrates.
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- Angewandte Chemie International Edition, 2014, v. 53, n. 40, p. 10710, doi. 10.1002/anie.201406546
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- Article
Origin of subdiffusion of water molecules on cell membrane surfaces.
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- Scientific Reports, 2014, p. 1, doi. 10.1038/srep04720
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- Article
Common Force Field Thermodynamics of Cholesterol.
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- Scientific World Journal, 2013, p. 1, doi. 10.1155/2013/207287
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- Article
GPU-accelerated computation of electron transfer.
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- Journal of Computational Chemistry, 2012, v. 33, n. 29, p. 2351, doi. 10.1002/jcc.23082
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- Article
FAST QUASI DOUBLE-PRECISION METHOD WITH SINGLE-PRECISION HARDWARE TO ACCELERATE SCIENTIFIC APPLICATIONS.
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- International Journal of Computational Methods, 2011, v. 8, n. 3, p. 561, doi. 10.1142/S0219876211002708
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Fast Calculation of Electrostatic Potentials on the GPU or the ASIC MD-GRAPE-3.
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- Computer Journal, 2011, v. 54, n. 7, p. 1181, doi. 10.1093/comjnl/bxq079
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Current performance gains from utilizing the GPU or the ASIC MDGRAPE-3 within an enhanced Poisson Boltzmann approach.
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- Journal of Computational Chemistry, 2009, v. 30, n. 14, p. 2351, doi. 10.1002/jcc.21257
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- Article
A comparison of tissue doppler imaging and velocities of transmitral flow in children with elevated left ventricular preload.
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- Cardiology in the Young, 2001, v. 11, n. 3, p. 261, doi. 10.1017/S1047951101000270
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- Article
A smooth-particle mesh Ewald method for DL_POLY molecular dynamics simulation package on the Fujitsu VPP700.
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- Journal of Computational Chemistry, 2000, v. 21, n. 13, p. 1187, doi. 10.1002/1096-987X(200010)21:13<1187::AID-JCC7>3.0.CO;2-7
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- Article
Molecular Dynamics Simulation of Dissociation Process for Methane Hydrate.
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- Annals of the New York Academy of Sciences, 2000, v. 912, n. 1, p. 678, doi. 10.1111/j.1749-6632.2000.tb06823.x
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- Article