Efficient Monte Carlo methods for cyclic peptides

Numerical recipes in C

1994 • 15,831 citations

All-Atom Empirical Potential for Molecular Modeling and Dynamics Studies of Proteins

1998 • 13,827 citations

Statistical mechanics of chain molecules

1969 • 6,455 citations

Understanding Molecular Simulation

1997 • 5,618 citations

An all atom force field for simulations of proteins and nucleic acids

1986 • 3,388 citations

Exchange Monte Carlo Method and Application to Spin Glass Simulations

1996 • 1,749 citations

Parallel tempering algorithm for conformational studies of biological molecules

1997 • 913 citations

Diversity of Conus Neuropeptides

1990 • 537 citations

Computing Science and Statistics

1999 • 395 citations

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

1996 • 353 citations

A concerted rotation algorithm for atomistic Monte Carlo simulation of polymer melts and glasses

1993 • 306 citations

Variable Connectivity Method for the Atomistic Monte Carlo Simulation of Polydisperse Polymer Melts

1995 • 291 citations

A biased Monte Carlo scheme for zeolite structure solution

1999 • 277 citations

Identification of novel peptide antagonists for GPIIb/IIIa from a conformationally constrained phage peptide library

1992 • 275 citations

In vitro selection from protein and peptide libraries

1994 • 242 citations

Estimation of the chemical potential of chain molecules by simulation

1992 • 222 citations

Conformational sampling using high‐temperature molecular dynamics

1990 • 216 citations

Control of cell motility and tumour invasion by extracellular matrix interactions

1992 • 180 citations

Disruption of a Neuropeptide Gene, flp-1 , Causes Multiple Behavioral Defects in Caenorhabditis elegans

1998 • 174 citations

Neuropeptides, Adenylyl Cyclase, and Memory Storage

1995 • 122 citations

Structure-Based Design of a Cyclophilin-Calcineurin Bridging Ligand

1993 • 78 citations

Monte Carlo simulation of branched and crosslinked polymers

1996 • 71 citations

Scanning method as an unbiased simulation technique and its application to the study of self-attracting random walks

1985 • 61 citations

Stochastic dynamics simulations of the alanine dipeptide using a solvent-modified potential energy surface

1993 • 60 citations

Location and Conformation of n-Alkanes in Zeolites: An Analysis of Configurational-Bias Monte Carlo Calculations

1996 • 55 citations

Polypeptide folding with off-lattice Monte Carlo dynamics: the method

1996 • 43 citations

A configurational bias Monte Carlo method for linear and cyclic peptides

1996 • 41 citations

Intrinsic Torsional Potential Parameters for Conformational Analysis of Peptides and Proteins

1996 • 26 citations

Simulation of phase equilibria for chain molecules

1995 • 19 citations

Molecular simulations of fluid phase equilibria

1996 • 7 citations

Modeling of the three-dimensional structure of polypeptides in solution using potential-scaled/hot-solute molecular dynamics

1994 • 5 citations

Computational physics in petrochemical industry

1996 • 5 citations

Tempered Fermions in the hybrid Monte Carlo algorithm

1998 • 4 citations