(Q57828897)

Probability Distributions for Complex Systems: Adaptive Umbrella Sampling of the Potential Energy

21 January 2018

1 reference

Molecular dynamics, Langevin and hydrid Monte Carlo simulations in a multicanonical ensemble

21 January 2018

1 reference

Adaptive umbrella sampling of the potential energy: modified updating procedure of the umbrella potential and application to peptide folding

21 January 2018

1 reference

Characterization of flexible molecules in solution: the RGDW peptide.

21 January 2018

1 reference

Solution conformations and thermodynamics of structured peptides: molecular dynamics simulation with an implicit solvation model.

21 January 2018

1 reference

Solution conformations of structured peptides: continuum electrostatics versus distance-dependent dielectric functions

21 January 2018

1 reference

An adaptive umbrella sampling procedure in conformational analysis using molecular dynamics and its application to glycol

21 January 2018

1 reference

THE weighted histogram analysis method for free-energy calculations on biomolecules. I. The method

21 January 2018

1 reference

CHARMM: A program for macromolecular energy, minimization, and dynamics calculations

21 January 2018

1 reference

Adaptive umbrella sampling: Self-consistent determination of the non-Boltzmann bias

21 January 2018

1 reference

New Monte Carlo algorithm: Entropic sampling.

21 January 2018

1 reference

Enhanced conformational sampling in Monte Carlo simulations of proteins: application to a constrained peptide

21 January 2018

1 reference

Multicanonical ensemble: A new approach to simulate first-order phase transitions

21 January 2018

1 reference

Prediction of peptide conformation by multicanonical algorithm: New approach to the multiple-minima problem

21 January 2018

1 reference

Generalized-ensemble Monte Carlo method for systems with rough energy landscape

21 January 2018

1 reference

Prediction of the native conformation of a polypeptide by a statistical-mechanical procedure. I. Backbone structure of enkephalin.

21 January 2018

1 reference

Canonical dynamics: Equilibrium phase-space distributions

21 January 2018

1 reference

Numerical integration of the cartesian equations of motion of a system with constraints: molecular dynamics of n-alkanes

21 January 2018

1 reference

Dictionary of protein secondary structure: pattern recognition of hydrogen-bonded and geometrical features

21 January 2018

1 reference

Estimating the relative populations of 3(10)-helix and alpha-helix in Ala-rich peptides: a hydrogen exchange and high field NMR study

21 January 2018

1 reference

Contribution of hydration to protein folding thermodynamics. II. The entropy and Gibbs energy of hydration

21 January 2018

1 reference

1H NMR studies of the solution conformations of an analogue of the C-peptide of ribonuclease A.

21 January 2018

1 reference

Laser temperature jump study of the helix<==>coil kinetics of an alanine peptide interpreted with a 'kinetic zipper' model

21 January 2018

1 reference

MOLMOL: a program for display and analysis of macromolecular structures

21 January 2018

1 reference

Packing structures and transitions in liquids and solids

21 January 2018

1 reference

New Monte Carlo technique for studying phase transitions

21 January 2018

1 reference

Optimized Monte Carlo data analysis

21 January 2018

1 reference

Multidimensional adaptive umbrella sampling: Applications to main chain and side chain peptide conformations

21 January 2018

1 reference

Simulation of activation free energies in molecular systems

21 January 2018

1 reference

A unified formulation of the constant temperature molecular dynamics methods

21 January 2018

1 reference