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Polar hydrogen positions in proteins: Empirical energy placement and neutron diffraction comparison

Author

Martin Karplus

Published in: Proteins

Date of publication: 1988

Language: English

Main subject: molecular biology, structural biology

Bibliographic databases:

Cites articles 21

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Sidechain torsional potentials and motion of amino acids in porteins: bovine pancreatic trypsin inhibitor
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Direct determination of the protonation states of aspartic acid-102 and histidine-57 in the tetrahedral intermediate of the serine proteases: neutron structure of trypsin
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Protein dynamics investigated by the neutron diffraction-hydrogen exchange technique
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Comparison of simple potential functions for simulating liquid water
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Molecular dynamics of native protein. I. Computer simulation of trajectories
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Active site of RNase: neutron diffraction study of a complex with uridine vanadate, a transition-state analog
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Harmonic dynamics of proteins: normal modes and fluctuations in bovine pancreatic trypsin inhibitor
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CHARMM: A program for macromolecular energy, minimization, and dynamics calculations

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A new force field for molecular mechanical simulation of nucleic acids and proteins
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Structure of bovine pancreatic trypsin inhibitor. Results of joint neutron and X-ray refinement of crystal form II
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Molecular dynamics of myoglobin at 298 degrees K. Results from a 300-ps computer simulation
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Active site dynamics of ribonuclease

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An all atom force field for simulations of proteins and nucleic acids
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Molecular dynamics simulations of native and substrate-bound lysozyme. A study of the average structures and atomic fluctuations
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Tertiary templates for proteins. Use of packing criteria in the enumeration of allowed sequences for different structural classes

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