Replica-exchange simulated tempering method for simulations of frustrated systems

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

1992 • 6,255 citations

Replica-exchange molecular dynamics method for protein folding

1999 • 4,335 citations

New Monte Carlo technique for studying phase transitions

1988 • 2,556 citations

Optimized Monte Carlo data analysis

1989 • 2,506 citations

Replica Monte Carlo Simulation of Spin-Glasses

1986 • 1,945 citations

Spin Glasses and Random Fields

1997 • 1,775 citations

Simulated Tempering: A New Monte Carlo Scheme

1992 • 1,767 citations

Exchange Monte Carlo Method and Application to Spin Glass Simulations

1996 • 1,749 citations

Multicanonical algorithms for first order phase transitions

1991 • 1,151 citations

New approach to Monte Carlo calculation of the free energy: Method of expanded ensembles

1992 • 1,011 citations

Parallel tempering algorithm for conformational studies of biological molecules

1997 • 913 citations

Multidimensional replica-exchange method for free-energy calculations

2000 • 693 citations

Computing Science and Statistics

1999 • 395 citations

Multicanonical Ensemble Generated by Molecular Dynamics Simulation for Enhanced Conformational Sampling of Peptides

1997 • 394 citations

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

1993 • 385 citations

Monte carlo study of the interacting self-avoiding walk model in three dimensions

1996 • 353 citations

Intermolecular potentials from crystal data. 6. Determination of empirical potentials for O-H...O = C hydrogen bonds from packing configurations

1984 • 343 citations

Replica-exchange multicanonical algorithm and multicanonical replica-exchange method for simulating systems with rough energy landscape

2000 • 251 citations

Monte Carlo Simulation of a First-Order Transition for Protein Folding

1994 • 219 citations

Thermodynamics of Helix-Coil Transitions Studied by Multicanonical Algorithms

1995 • 193 citations

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

1998 • 185 citations

Numerical comparisons of three recently proposed algorithms in the protein folding problem

1997 • 168 citations

Studies of an off-lattice model for protein folding: Sequence dependence and improved sampling at finite temperature

1995 • 122 citations

NUMERICAL SIMULATIONS OF SPIN GLASS SYSTEMS

1997 • 100 citations

THE GENERALIZED-ENSEMBLE APPROACH FOR PROTEIN FOLDING SIMULATIONS

1999 • 94 citations

Monte Carlo simulations in generalized ensemble: Multicanonical algorithm versus simulated tempering

1996 • 78 citations

Simulation of Lattice Polymers with Multi-Self-Overlap Ensemble

1998 • 76 citations

Two-component multicanonical Monte Carlo method for effective conformation sampling

1997 • 66 citations

Prediction of α-Helix Folding of Isolated C-Peptide of Ribonuclease A by Monte Carlo Simulated Annealing

1991 • 63 citations

Monte Carlo study of the phase structure of compact polymer chains

1999 • 53 citations

Helix-coil transitions of amino-acid homo-oligomers in aqueous solution studied by multicanonical simulations

2000 • 48 citations

Effects of Side-Chain Charges on α-Helix Stability in C-Peptide of Ribonuclease A Studied by Multicanonical Algorithm

1999 • 39 citations

Multicanonical algorithm combined with the RISM theory for simulating peptides in aqueous solution

2000 • 36 citations

Temperature dependence of distributions of conformations of a small peptide

1998 • 27 citations

Introduction to Multicanonical Monte Carlo Simulations

1999 • 13 citations