Conformational transitions using molecular dynamics with minimum biasing

Principles of Nucleic Acid Structure

2008 • 4,570 citations

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

1986 • 3,388 citations

Dynamics of Proteins and Nucleic Acids

1988 • 1,274 citations

Dynamics of Proteins and Nucleic Acids

1987 • 1,222 citations

Free Energy Via Molecular Simulation: Applications to Chemical and Biomolecular Systems

1989 • 1,052 citations

The hinge-bending mode in lysozyme

1976 • 370 citations

A new technique to calculate steepest descent paths in flexible polyatomic systems

1990 • 275 citations

Reaction path study of conformational transitions in flexible systems: Applications to peptides

1990 • 252 citations

Further refinement of the structure of yeast tRNAPhe

1978 • 243 citations

Sidechain torsional potentials and motion of amino acids in porteins: bovine pancreatic trypsin inhibitor.

1975 • 215 citations

Extreme conformational flexibility of the furanose ring in DNA and RNA

1978 • 209 citations

Dynamical theory of activated processes in globular proteins.

1982 • 193 citations

How flexible is the furanose ring? 2. An updated potential energy estimate

1982 • 193 citations

Ribose puckering: structure, dynamics, energetics, and the pseudorotation cycle

1986 • 109 citations

Molecular dynamics with internal coordinate constraints

1988 • 89 citations

Dynamics of activated processes in globular proteins.

1979 • 86 citations

Phenylalanine Transfer RNA: Molecular Dynamics Simulation

1984 • 54 citations

Intramolecular flexibility in phenylalanine transfer RNA

1981 • 45 citations

Large‐amplitude bending motions in phenylalanine transfer RNA

1984 • 34 citations

Molecular dynamics anneals large-scale deformations of model macromolecules: stretching the DNA double helix to form an intercalation site

1985 • 23 citations

Molecular‐dynamics simulation of phenylalanine transfer RNA. I. Methods and general results

1985 • 23 citations

A Reduced Set of Coordinates for Modeling DNA Structures: (I) A B-to-A Transition Pathway Driven by Pseudorotational Angle

1992 • 12 citations

Comparison of free energy surfaces for extended-atom and all-atom models of n-butane

1986 • 10 citations