Accelerating molecular dynamic simulation on graphics processing units - Wikidata - awgldk - TriplyDB

Accelerating molecular dynamic simulation on graphics processing units

Accelerating molecular dynamic simulation on graphics processing units

http://www.wikidata.org/entity/Q24654186

about

Unfolded-state dynamics and structure of protein L characterized by simulation and experiment Everything you wanted to know about Markov State Models but were afraid to ask Taming the complexity of protein folding Molecular simulation of ab initio protein folding for a millisecond folder NTL9(1-39)Molecular dynamics simulations of biological membranes and membrane proteins using enhanced conformational sampling algorithms Exploring the role of receptor flexibility in structure-based drug discovery The Native GCN4 Leucine-Zipper Domain Does Not Uniquely Specify a Dimeric Oligomerization State Structure of the yeast U2/U6 snRNA complex Extending fragment-based free energy calculations with library Monte Carlo simulation: annealing in interaction space Entropy-enthalpy transduction caused by conformational shifts can obscure the forces driving protein-ligand binding Equilibrium sampling in biomolecular simulations Fast docking on graphics processing units via Ray-Casting Achievements and challenges in structural bioinformatics and computational biophysics Slow unfolded-state structuring in Acyl-CoA binding protein folding revealed by simulation and experiment Computational solutions to large-scale data management and analysis GPU-accelerated molecular modeling coming of age Lessons from application of the UNRES force field to predictions of structures of CASP10 targets Parallel implementation of 3D protein structure similarity searches using a GPU and the CUDA.Bordetella adenylate cyclase toxin is a unique ligand of the integrin complement receptor 3 Integrating atomistic molecular dynamics simulations, experiments, and network analysis to study protein dynamics: strength in unity.Implementation of molecular dynamics and its extensions with the coarse-grained UNRES force field on massively parallel systems; towards millisecond-scale simulations of protein structure, dynamics, and thermodynamics.Predicting interaction sites from the energetics of isolated proteins: a new approach to epitope mapping.Fast and accurate protein substructure searching with simulated annealing and GPUs Coarse-Grained Models for Protein-Cell Membrane Interactions.Trends in template/fragment-free protein structure prediction Structure and stability analysis of cytotoxic complex of camel α-lactalbumin and unsaturated fatty acids produced at high temperature.Identifying ligand binding sites and poses using GPU-accelerated Hamiltonian replica exchange molecular dynamics.OpenMM 4: A Reusable, Extensible, Hardware Independent Library for High Performance Molecular Simulation Advanced techniques for constrained internal coordinate molecular dynamics.Dynamical reweighting: improved estimates of dynamical properties from simulations at multiple temperatures.Alchemical free energy methods for drug discovery: progress and challenges Distinct aggregation mechanisms of monoclonal antibody under thermal and freeze-thaw stresses revealed by hydrogen exchange.Improving structure-based function prediction using molecular dynamics.Current status of the AMOEBA polarizable force field Integrative multicellular biological modeling: a case study of 3D epidermal development using GPU algorithms GPU-Q-J, a fast method for calculating root mean square deviation (RMSD) after optimal superposition Mechanism of fibrin(ogen) forced unfolding.Kinks, loops, and protein folding, with protein A as an example.The Polarizable Atomic Multipole-based AMOEBA Force Field for Proteins.Markov modeling reveals novel intracellular modulation of the human TREK-2 selectivity filter.

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P2860

Accelerating molecular dynamic simulation on graphics processing units

http://www.wikidata.org/entity/Q24654186

description

2009 nî lūn-bûn

@nan

2009 թուականի Ապրիլին հրատարակուած գիտական յօդուած

@hyw

2009 թվականի ապրիլին հրատարակված գիտական հոդված

@hy

2009年の論文

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2009年論文

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2009年論文

@zh-hant

2009年論文

@zh-hk

2009年論文

@zh-mo

2009年論文

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2009年论文

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name

Accelerating molecular dynamic simulation on graphics processing units

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Accelerating molecular dynamic simulation on graphics processing units

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Accelerating molecular dynamic simulation on graphics processing units

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type

label

Accelerating molecular dynamic simulation on graphics processing units

@ast

Accelerating molecular dynamic simulation on graphics processing units

@en

Accelerating molecular dynamic simulation on graphics processing units

@nl

prefLabel

Accelerating molecular dynamic simulation on graphics processing units

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Accelerating molecular dynamic simulation on graphics processing units

@en

Accelerating molecular dynamic simulation on graphics processing units

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Journal of Computational Chemistry

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Accelerating molecular dynamic simulation on graphics processing units

@en

P2093

Adam L Beberg

http://www.w3.org/2001/XMLSchema#string

Christopher M Bruns

http://www.w3.org/2001/XMLSchema#string

Daniel L Ensign

http://www.w3.org/2001/XMLSchema#string

Mark S Friedrichs

http://www.w3.org/2001/XMLSchema#string

Mike Houston

http://www.w3.org/2001/XMLSchema#string

Peter Eastman

http://www.w3.org/2001/XMLSchema#string

Scott Legrand

http://www.w3.org/2001/XMLSchema#string

Vijay S Pande

http://www.w3.org/2001/XMLSchema#string

Vishal Vaidyanathan

http://www.w3.org/2001/XMLSchema#string

P2860

Exploring protein native states and large-scale conformational changes with a modified generalized born model

Experimental tests of villin subdomain folding simulations.

Molecular dynamics simulations of biomolecules: long-range electrostatic effects.

Folding lambda-repressor at its speed limit.

Accelerating molecular modeling applications with graphics processors.

Heterogeneity even at the speed limit of folding: large-scale molecular dynamics study of a fast-folding variant of the villin headpiece

Force fields for protein simulations.

An experimental survey of the transition between two-state and downhill protein folding scenarios.

Ten-microsecond molecular dynamics simulation of a fast-folding WW domain.

Rate-temperature relationships in lambda-repressor fragment lambda 6-85 folding.

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864-72

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scholarly article

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10.1002/JCC.21209

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6

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30

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2009-04-30T00:00:00Z

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23975572

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19191337

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2724265

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