about
Molecular dynamics simulations suggest that electrostatic funnel directs binding of Tamiflu to influenza N1 neuraminidases.Scalable molecular dynamics with NAMDGPU-accelerated molecular modeling coming of ageNONUNIFORM FOURIER TRANSFORMS FOR RIGID-BODY AND MULTI-DIMENSIONAL ROTATIONAL CORRELATIONS.Gaussian split Ewald: A fast Ewald mesh method for molecular simulation.Computing Models for FPGA-Based AcceleratorsMultilevel summation method for electrostatic force evaluationEwald mesh method for quantum mechanical calculations.Molecular dynamics: survey of methods for simulating the activity of proteins.Multilevel Summation of Electrostatic Potentials Using Graphics Processing Units.Classical electrostatics for biomolecular simulations.Biomolecularmodeling and simulation: a field coming of age.Fast Analytical Methods for Macroscopic Electrostatic Models in Biomolecular Simulations.Molecular modeling of nucleic Acid structure: electrostatics and solvation.Multi-Level Ewald: A hybrid multigrid / Fast Fourier Transform approach to the electrostatic particle-mesh problem.Multilevel summation with B-spline interpolation for pairwise interactions in molecular dynamics simulations.TopoGromacs: Automated Topology Conversion from CHARMM to GROMACS within VMD.Molecular Dynamics Simulations on High-Performance Reconfigurable Computing Systems.Calculation of absolute protein-ligand binding affinity using path and endpoint approaches.Correcting Mesh-Based Force Calculations to Conserve Both Energy and Momentum in Molecular Dynamics Simulations.A multiscale coarse-grained polarizable solvent model for handling long tail bulk electrostatics.Mesh-free hierarchical clustering methods for fast evaluation of electrostatic interactions of point multipoles.Multilevel summation for dispersion: a linear-time algorithm for r(-6) potentials.Accelerating electrostatic interaction calculations with graphical processing units based on new developments of Ewald method using non-uniform fast Fourier transform.Cubic-scaling algorithm and self-consistent field for the random-phase approximation with second-order screened exchange.Comparison of treecodes for computing electrostatic potentials in charged particle systems with disjoint targets and sources.Extension and evaluation of the multilevel summation method for fast long-range electrostatics calculations.Fast evaluation of polarizable forces.Interlaced P3M algorithm with analytical and ik-differentiation.Particle-particle, particle-scaling function algorithm for electrostatic problems in free boundary conditions.Algorithm improvements for molecular dynamics simulations
P2860
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P2860
description
2002 nî lūn-bûn
@nan
2002年の論文
@ja
2002年学术文章
@wuu
2002年学术文章
@zh
2002年学术文章
@zh-cn
2002年学术文章
@zh-hans
2002年学术文章
@zh-my
2002年学术文章
@zh-sg
2002年學術文章
@yue
2002年學術文章
@zh-hant
name
Multiple grid methods for classical molecular dynamics.
@en
Multiple grid methods for classical molecular dynamics.
@nl
type
label
Multiple grid methods for classical molecular dynamics.
@en
Multiple grid methods for classical molecular dynamics.
@nl
prefLabel
Multiple grid methods for classical molecular dynamics.
@en
Multiple grid methods for classical molecular dynamics.
@nl
P2093
P2860
P356
P1476
Multiple grid methods for classical molecular dynamics.
@en
P2093
David J Hardy
Ismail Tezcan
Robert D Skeel
P2860
P304
P356
10.1002/JCC.10072
P577
2002-04-01T00:00:00Z