相关参考文献
注意:仅列出部分参考文献,下载原文获取全部文献信息。Extended ensemble approach for deriving transferable coarse-grained potentials
J. W. Mullinax et al.
JOURNAL OF CHEMICAL PHYSICS (2009)
Multiscale simulation of soft matter: From scale bridging to adaptive resolution
Matej Praprotnik et al.
ANNUAL REVIEW OF PHYSICAL CHEMISTRY (2008)
Implicit-solvent mesoscale model based on soft-core potentials for self-assembled lipid membranes
Joel D. Revalee et al.
JOURNAL OF CHEMICAL PHYSICS (2008)
Classical and quantum mechanical/molecular mechanical molecular dynamics simulations of alanine dipeptide in water: Comparisons with IR and vibrational circular dichroism spectra
Kijeong Kwac et al.
JOURNAL OF CHEMICAL PHYSICS (2008)
The multiscale coarse-graining method. I. A rigorous bridge between atomistic and coarse-grained models
W. G. Noid et al.
JOURNAL OF CHEMICAL PHYSICS (2008)
Conservative algorithm for an adaptive change of resolution in mixed atomistic/coarse-grained multiscale simulations
Andreas Heyden et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2008)
Peptide Folding Using Multiscale Coarse-Grained Models
Ian F. Thorpe et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2008)
Large-scale molecular dynamics simulations of self-assembling systems
Michael L. Klein et al.
SCIENCE (2008)
Optimizing replica exchange moves for molecular dynamics
Walter Nadler et al.
PHYSICAL REVIEW E (2007)
The MARTINI force field: Coarse grained model for biomolecular simulations
Siewert J. Marrink et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2007)
Energy conservation in adaptive hybrid atomistic/coarse-grain molecular dynamics
Bernd Ensing et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2007)
Coarse-grained peptide modeling using a systematic multiscale approach
Jian Zhou et al.
BIOPHYSICAL JOURNAL (2007)
Multi-property fitting and parameterization of a coarse grained model for aqueous surfactants
W. Shinoda et al.
MOLECULAR SIMULATION (2007)
Coarse-grained molecular dynamics simulations of a rotating bacterial flagellum
Anton Arkhipov et al.
BIOPHYSICAL JOURNAL (2006)
Hydrophobic aided replica exchange: an efficient algorithm for protein folding in explicit solvent
Pu Liu et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2006)
Coarse grained protein-lipid model with application to lipoprotein particles
AY Shih et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2006)
Improved efficiency of replica exchange simulations through use of a hybrid explicit/implicit solvation model
A Okur et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2006)
On the origin of the redshift of the OH stretch in Ice Ih: evidence from the momentum distribution of the protons and the infrared spectral density
C. J. Burnham et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2006)
Replica exchange with solute tempering: A method for sampling biological systems in explicit water
P Liu et al.
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA (2005)
Efficient sampling of protein structures by model hopping
W Kwak et al.
PHYSICAL REVIEW LETTERS (2005)
Coarse-grained models for proteins
V Tozzini
CURRENT OPINION IN STRUCTURAL BIOLOGY (2005)
A multiscale coarse-graining method for biomolecular systems
S Izvekov et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2005)
Coarse grain models and the computer simulation of soft materials
SO Nielsen et al.
JOURNAL OF PHYSICS-CONDENSED MATTER (2004)
Structure of the alanine dipeptide in condensed phases determined by 13C NMR
MA Mehta et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2004)
M3B: A coarse grain force field for molecular simulations of malto-oligosaccharides and their water mixtures
V Molinero et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2004)
Long-time conformational transitions of alanine dipeptide in aqueous solution: Continuous and discrete-state kinetic models
DS Chekmarev et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2004)
Molecular dynamics simulations of spontaneous fibril formation by random-coil peptides
HD Nguyen et al.
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA (2004)
Molecular dynamics simulation of the formation, structure, and dynamics of small phospholipid vesicles
SJ Marrink et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2003)
A point-charge force field for molecular mechanics simulations of proteins based on condensed-phase quantum mechanical calculations
Y Duan et al.
JOURNAL OF COMPUTATIONAL CHEMISTRY (2003)
Global optimization by energy landscape paving
UHE Hansmann et al.
PHYSICAL REVIEW LETTERS (2002)
Simulations of phospholipids using a coarse grain model
JC Shelley et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2001)
A coarse grain model for phospholipid simulations
JC Shelley et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2001)
Efficient, multiple-range random walk algorithm to calculate the density of states
FG Wang et al.
PHYSICAL REVIEW LETTERS (2001)
Parallel excluded volume tempering for polymer melts
A Bunker et al.
PHYSICAL REVIEW E (2001)