Motions of an α‐helical polypeptide: Comparison of molecular and harmonic dynamics

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

1983 • 14,615 citations

An algorithm for the machine calculation of complex Fourier series

1965 • 11,350 citations

Computer "Experiments" on Classical Fluids. I. Thermodynamical Properties of Lennard-Jones Molecules

1967 • 8,657 citations

Dynamics of folded proteins

1977 • 1,929 citations

Temperature-dependent X-ray diffraction as a probe of protein structural dynamics

1979 • 1,136 citations

Helix geometry in proteins

1988 • 1,042 citations

Method for estimating the configurational entropy of macromolecules

1981 • 831 citations

Harmonic dynamics of proteins: normal modes and fluctuations in bovine pancreatic trypsin inhibitor.

1983 • 821 citations

The Internal Dynamics of Globular Protein

1981 • 505 citations

Ensemble Dependence of Fluctuations with Application to Machine Computations

1967 • 475 citations

Crystallographic studies of the dynamic properties of lysozyme

1979 • 437 citations

Computer Simulation of the Lattice Dynamics of Solids

1969 • 407 citations

Picosecond dynamics of tyrosine side chains in proteins

1979 • 336 citations

Conformational substates in a protein: structure and dynamics of metmyoglobin at 80 K.

1982 • 247 citations

Quasi‐harmonic method for studying very low frequency modes in proteins

1984 • 244 citations

Evaluation of the configurational entropy for proteins: application to molecular dynamics simulations of an α-helix

1984 • 240 citations

Dynamics of metmyoglobin crystals investigated by nuclear gamma resonance absorption

1981 • 227 citations

C. L. Brooks III, M. Karplus, B. M. Pettitt. Proteins: A Theoretical Perspective of Dynamics, Structure and Thermodynamics, Volume LXXI, in: Advances in Chemical Physics, John Wiley &amp; Sons, New York 1988. 259 Seiten, Preis: US $ 65.25

1990 • 206 citations

Time dependence of atomic fluctuations in proteins: analysis of local and collective motions in bovine pancreatic trypsin inhibitor

1982 • 154 citations

Evidence for Conformational and Diffusional Mean Square Displacements in Frozen Aqueous Solution of Oxymyoglobin

1980 • 139 citations

Simulation of Protein Dynamics

1980 • 132 citations

Molecular dynamics of an α-helical polypeptide: Temperature dependence and deviation from harmonic behavior

1982 • 130 citations

Vibrational approach to the dynamics of an α‐helix

1979 • 85 citations

Biophysical Applications of Quasi-Elastic and Inelastic Neutron Scattering

1984 • 76 citations

Anisotropy and anharmonicity of atomic fluctuations in proteins: Analysis of a molecular dynamics simulation

1987 • 73 citations

Inelastic neutron scattering analysis of low frequency motion in proteins: A normal mode study of the bovine pancreatic trypsin inhibitor

1986 • 67 citations

Fluctuations of an α‐helix

1976 • 59 citations

Molecular dynamics of ferrocytochrome c

1980 • 58 citations

Molecular dynamics of ferrocytochrome c: Anharmonicity of atomic displacements

1982 • 48 citations

Molecular dynamics of ferrocytochrome c: Time dependence of the atomic displacements

1983 • 29 citations

Neutron‐scattering spectroscopy of the α‐ and β‐ forms of poly‐<scp>L</scp>‐alanine. Motion of the methyl side chain

1975 • 26 citations

Mean‐square amplitudes of the longitudinal vibrational of helical polymers

1979 • 19 citations

Shape of the conformational energy surface near the global minimum and low‐frequency vibrations in the native conformation of globular proteins

1978 • 19 citations

Phonon Spectra of Helical Biopolymers

1967 • 8 citations