Related references
Note: Only part of the references are listed.Generalized Replica Exchange Method
Jaegil Kim et al.
JOURNAL OF CHEMICAL PHYSICS (2010)
Evaluating Molecular Mechanical Potentials for Helical Peptides and Proteins
Erik J. Thompson et al.
PLOS ONE (2010)
Common Structural Transitions in Explicit-Solvent Simulations of Villin Headpiece Folding
Peter L. Freddolino et al.
BIOPHYSICAL JOURNAL (2009)
Enhanced sampling in generalized ensemble with large gap of sampling parameter: Case study in temperature space random walk
Cheng Zhang et al.
JOURNAL OF CHEMICAL PHYSICS (2009)
Folding simulations of Trp-cage mini protein in explicit solvent using biasing potential replica-exchange molecular dynamics simulations
Srinivasaraghavan Kannan et al.
PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS (2009)
P-LINCS: A parallel linear constraint solver for molecular simulation
Berk Hess
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2008)
Folding free-energy landscape of villin headpiece subdomain from molecular dynamics simulations
Hongxing Lei et al.
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA (2007)
Unfolding thermodynamics of Trp-cage, a 20 residue miniprotein, studied by differential scanning calorimetry and circular dichroism spectroscopy
Werner W. Streicher et al.
BIOCHEMISTRY (2007)
Canonical sampling through velocity rescaling
Giovanni Bussi et al.
JOURNAL OF CHEMICAL PHYSICS (2007)
Comparison of multiple amber force fields and development of improved protein backbone parameters
Viktor Hornak et al.
PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS (2006)
Monte Carlo vs molecular dynamics for all-atom polypeptide folding simulations
Jakob P. Ulmschneider et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2006)
Using massively parallel simulation and Markovian models to study protein folding: Examining the dynamics of the villin headpiece
G Jayachandran et al.
JOURNAL OF CHEMICAL PHYSICS (2006)
Absence of reptation in the high-temperature folding of the trpzip2 β-hairpin peptide
JW Pitera et al.
JOURNAL OF CHEMICAL PHYSICS (2006)
High-resolution x-ray crystal structures of the villin headpiece subdomain, an ultrafast folding protein
TK Chiu et al.
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA (2005)
Exploring the helix-coil transition via all-atom equilibrium ensemble simulations
EJ Sorin et al.
BIOPHYSICAL JOURNAL (2005)
Unbiased estimators for spatial distribution functions of classical fluids
AB Adib et al.
JOURNAL OF CHEMICAL PHYSICS (2005)
Adaptive integration method for Monte Carlo simulations
M Fasnacht et al.
PHYSICAL REVIEW E (2004)
Heterogeneous folding of the trpzip hairpin: Full atom simulation and experiment
WY Yang et al.
JOURNAL OF MOLECULAR BIOLOGY (2004)
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)
Understanding folding and design: Replica-exchange simulations of Trp-cage fly miniproteins
JW Pitera et al.
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA (2003)
Experimental tests of villin subdomain folding simulations
J Kubelka et al.
JOURNAL OF MOLECULAR BIOLOGY (2003)
Dynamic NMR line-shape analysis demonstrates that the villin headpiece subdomain folds on the microsecond time scale
MH Wang et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2003)
Simulation of folding of a small alpha-helical protein in atomistic detail using worldwide-distributed computing
B Zagrovic et al.
JOURNAL OF MOLECULAR BIOLOGY (2002)
Smaller and faster:: The 20-residue Trp-cage protein folds in 4 μs
LL Qiu et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2002)
Designing a 20-residue protein
JW Neidigh et al.
NATURE STRUCTURAL BIOLOGY (2002)
Tryptophan zippers:: Stable, monomeric β-hairpins
AG Cochran et al.
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA (2001)