Computational Biochemistry and Biophysics

Genetic algorithms in search, optimization, and machine learning

1989 • 49,726 citations

Classical Electrodynamics

2020 • 23,276 citations

Introduction to Solid State Physics

1957 • 22,073 citations

Computer Simulation of Liquids

2017 • 20,627 citations

<scp>CHARMM</scp>: A program for macromolecular energy, minimization, and dynamics calculations

1983 • 14,615 citations

Classical Mechanics

1951 • 10,303 citations

Mathematical Methods of Classical Mechanics

1989 • 8,994 citations

Ab initio molecular orbital theory

1976 • 7,942 citations

Handbook of Genetic Algorithms

1991 • 7,451 citations

Ionic channels of excitable membranes

1985 • 7,199 citations

The Monte Carlo Method

1949 • 5,519 citations

Computer Simulation Using Particles

1988 • 5,374 citations

Understanding Molecular Simulation: From Algorithms to Applications

1997 • 5,260 citations

Principles of Nucleic Acid Structure

2008 • 4,570 citations

The Art of Molecular Dynamics Simulation

2004 • 3,845 citations

The Symmetric Eigenvalue Problem

1998 • 3,238 citations

Essential dynamics of proteins

1993 • 3,179 citations

Encyclopedia of Computational Chemistry

1998 • 2,752 citations

*13 Simulated Annealing and Boltzmann Machines

1993 • 1,665 citations

Molecular Vibrations: The Theory of Infrared and Raman Vibrational Spectra

1955 • 1,650 citations

Fundamentals of Statistical and Thermal Physics

1967 • 1,494 citations

Numerical Hamiltonian Problems

1994 • 1,295 citations

Thermochemistry of organic and organometallic compounds

1970 • 1,277 citations

Dynamics of Proteins and Nucleic Acids

1988 • 1,274 citations

Conformational analysis—CI

1974 • 974 citations

Robot Dynamics Algorithms

1987 • 870 citations

Computational Physics

1999 • 856 citations

Large-amplitude nonlinear motions in proteins

1992 • 782 citations

Proteins: A Theoretical Perspective of Dynamics, Structure and Thermodynamics

1990 • 758 citations

Locally accessible conformations of proteins: Multiple molecular dynamics simulations of crambin

1998 • 455 citations

Prediction of the folding of short polypeptide segments by uniform conformational sampling

1987 • 428 citations

An evaluation of computational strategies for use in the determination of protein structure from distance constraints obtained by nuclear magnetic resonance

1991 • 426 citations

Cluster Analysis Algorithms for Data Reduction and Classification of Objects

1981 • 356 citations

Computer Simulation of Biomolecular Systems

1997 • 344 citations

An Empirical Potential Energy Function for Phospholipids: Criteria for Parameter Optimization and Applications

1996 • 326 citations

Biological membranes : a molecular perspective from computation and experiment

1996 • 315 citations

A biased Monte Carlo scheme for zeolite structure solution

1999 • 277 citations

Flexible ligand docking using a genetic algorithm

1995 • 269 citations

A Course of Pure Mathematics.

1938 • 256 citations

The ensemble approach to distance geometry: application to the nicotinic pharmacophore

1986 • 248 citations

Stable calculation of coordinates from distance information

1978 • 163 citations

Optimal protocol and trajectory visualization for conformational searches of peptides and proteins

1992 • 149 citations

Harmonic and anharmonic aspects in the dynamics of BPTI: A normal mode analysis and principal component analysis

1994 • 129 citations

On Monte Carlo and molecular dynamics methods inspired by Tsallis statistics: Methodology, optimization, and application to atomic clusters

1997 • 116 citations

Protein conformational landscapes: Energy minimization and clustering of a long molecular dynamics trajectory

1995 • 94 citations

A genetic algorithm based method for docking flexible molecules

1994 • 63 citations

Simulations of Liquids and Solids

1989 • 49 citations

Conservation of Energy

2009 • 46 citations

Monte Carlo methods for accelerating barrier crossing: Anti-force-bias and variable step algorithms

1990 • 45 citations

Principal coordinate maps of molecular potential energy surfaces

1998 • 44 citations

Flexibility, Conformation Spaces, and Bioactivity

2000 • 41 citations

Quantitative visualization of a macromolecular potential energy “funnel”

1997 • 27 citations

Structure and Expression. Vol. 1. From Proteins to Ribosomes.

1989 • 14 citations

The Poisson Equation

2017 • 7 citations

Deleted Work

1955 • 0 citations