MOIL-opt: Energy-Conserving Molecular Dynamics on a GPU/CPU system
about
Unassisted transport of N-acetyl-L-tryptophanamide through membrane: experiment and simulation of kinetics.Revisiting Molecular Dynamics on a CPU/GPU system: Water Kernel and SHAKE ParallelizationMultiple program/multiple data molecular dynamics method with multiple time step integrator for large biological systems.Modeling kinetics and equilibrium of membranes with fields: milestoning analysis and implication to permeation.A Stochastic Algorithm for the Isobaric-Isothermal Ensemble with Ewald Summations for All Long Range Forces.Molecular dynamics studies of modular polyketide synthase ketoreductase stereospecificity.Perspective: Computer simulations of long time dynamicsPolyelectrolyte properties of single stranded DNA measured using SAXS and single-molecule FRET: Beyond the wormlike chain model.Dynamic void distribution in myoglobin and five mutantsGraphics processing units in bioinformatics, computational biology and systems biology.Computational study of peptide permeation through membrane: Searching for hidden slow variables.Markovian and Non-Markovian Modeling of Membrane Dynamics with Milestoning.Measurement of the membrane dipole electric field in DMPC vesicles using vibrational shifts of p-cyanophenylalanine and molecular dynamics simulations.Calculating Iso-Committor Surfaces as Optimal Reaction Coordinates with MilestoningOptimizing potentials for a liquid mixture: a new force field for a tert-butanol and water solution.A MATHEMATICAL FRAMEWORK FOR EXACT MILESTONING.Automated Optimization of Potential Parameters.Allosteric pathways in tetrahydrofolate sensing riboswitch with dynamics correlation network.Transport and dielectric properties of water and the influence of coarse-graining: comparing BMW, SPC/E, and TIP3P models.A new paradigm for atomically detailed simulations of kinetics in biophysical systems.A piecewise lookup table for calculating nonbonded pairwise atomic interactions.Direct Measurement of the Effect of Cholesterol and 6-Ketocholestanol on the Membrane Dipole Electric Field Using Vibrational Stark Effect Spectroscopy Coupled with Molecular Dynamics Simulations.
P2860
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P2860
MOIL-opt: Energy-Conserving Molecular Dynamics on a GPU/CPU system
description
2011 nî lūn-bûn
@nan
2011年の論文
@ja
2011年論文
@yue
2011年論文
@zh-hant
2011年論文
@zh-hk
2011年論文
@zh-mo
2011年論文
@zh-tw
2011年论文
@wuu
2011年论文
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2011年论文
@zh-cn
name
MOIL-opt: Energy-Conserving Molecular Dynamics on a GPU/CPU system
@ast
MOIL-opt: Energy-Conserving Molecular Dynamics on a GPU/CPU system
@en
type
label
MOIL-opt: Energy-Conserving Molecular Dynamics on a GPU/CPU system
@ast
MOIL-opt: Energy-Conserving Molecular Dynamics on a GPU/CPU system
@en
prefLabel
MOIL-opt: Energy-Conserving Molecular Dynamics on a GPU/CPU system
@ast
MOIL-opt: Energy-Conserving Molecular Dynamics on a GPU/CPU system
@en
P2093
P2860
P356
P1476
MOIL-opt: Energy-Conserving Molecular Dynamics on a GPU/CPU system
@en
P2093
A Peter Ruymgaart
Alfredo E Cardenas
P2860
P304
P356
10.1021/CT200360F
P577
2011-08-01T00:00:00Z