Topic: Algorithms
Journal: The Journal of Chemical Physics
Documents
A list of abstracts that contain a topic of "Algorithms" and a journal name of "The Journal of Chemical Physics".
Replica Exchange with Dynamical Scaling.
PMID: 17302469
Conformational Sampling Via a Self-regulating Effective Energy Surface.
PMID: 16689598
Variable-free Exploration of Stochastic Models: a Gene Regulatory Network Example.
PMID: 17461667
Coil-globule Transition of a Single Short Polymer Chain: an Exact Enumeration Study.
PMID: 17444742
Random Sequences with Power-law Correlations Exhibit Proteinlike Behavior.
PMID: 17444752
Efficient Computation of the First Passage Time Distribution of the Generalized Master Equation by Steady-state Relaxation.
PMID: 16468856
Harmonic Fourier Beads Method for Studying Rare Events on Rugged Energy Surfaces.
PMID: 17100430
Chemical Origin of Blue- and Redshifted Hydrogen Bonds: Intramolecular Hyperconjugation and Its Coupling with Intermolecular Hyperconjugation.
PMID: 17461609
Development of an Equation of State for Electrolyte Solutions by Combining the Statistical Associating Fluid Theory and the Mean Spherical Approximation for the Nonprimitive Model.
PMID: 17614560
Efficiency Analysis of Reaction Rate Calculation Methods Using Analytical Models I: The Two-dimensional Sharp Barrier.
PMID: 17100428
General Biorthogonal Projected Bases As Applied to Second-order Møller-plesset Perturbation Theory.
PMID: 17718605
Investigation of the Dynamics of Two Coupled Oscillators with Mixed Quantum-classical Methods.
PMID: 16709095
Treatment of Geometric Singularities in Implicit Solvent Models.
PMID: 17614538
Efficient Computation of the Exchange-correlation Contribution in the Density Functional Theory Through Multiresolution.
PMID: 16526847
Dynamic Bond Constraints in Protein Langevin Dynamics.
PMID: 16674259
Automatic Discovery of Metastable States for the Construction of Markov Models of Macromolecular Conformational Dynamics.
PMID: 17461665
Kinetics of Interior Loop Formation in Semiflexible Chains.
PMID: 16542102
Representability Problems for Coarse-grained Water Potentials.
PMID: 17444725
Langevin Stabilization of Molecular-dynamics Simulations of Polymers by Means of Quasisymplectic Algorithms.
PMID: 17362055