Literature DB >> 7248464

Internal dynamics of proteins. Short time and long time motions of aromatic sidechains in PTI.

M Karplus, B R Gelin, J A McCammon.   

Abstract

Theoretical approaches to the internal dynamics of proteins are outlined and illustrated by application to the aromatic sidechain motions of tyrosines in the bovine pancreatic trypsin inhibitor. High frequency torsional oscillations are obtained from a molecular dynamics simulation, while the longer time ring rotations are analyzed by use of adiabatic energy minimization and special transition-state trajectory techniques.

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Year:  1980        PMID： 7248464      PMCID： PMC1327359          DOI： 10.1016/S0006-3495(80)84993-9

Source DB:  PubMed          Journal:  Biophys J        ISSN： 0006-3495            Impact factor:   4.033


  16 in total

1.  Dynamics of the aromatic amino acid residues in the globular conformation of the basic pancreatic trypsin inhibitor (BPTI). II. Semi-empirical energy calculations.

Authors:  R Hetzel; K Wüthrich; J Deisenhofer; R Huber
Journal:  Biophys Struct Mech       Date:  1976-08-23

2.  Role of structural flexibility in conformational calculations. Application to acetylcholine and beta-methylacetylcholine.

Authors:  B R Gelin; M Karplus
Journal:  J Am Chem Soc       Date:  1975-11-26       Impact factor: 15.419

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

Authors:  B R Gelin; M Karplus
Journal:  Proc Natl Acad Sci U S A       Date:  1975-06       Impact factor: 11.205

4.  Complete tyrosine assignments in the high field 1H nuclear magnetic resonance spectrum of the bovine pancreatic trypsin inhibitor.

Authors:  G H Snyder; R Rowan; S Karplus; B D Sykes
Journal:  Biochemistry       Date:  1975-08-26       Impact factor: 3.162

5.  Dynamics of folded proteins.

Authors:  J A McCammon; B R Gelin; M Karplus
Journal:  Nature       Date:  1977-06-16       Impact factor: 49.962

6.  Dynamics of the aromatic amino acid residues in the globular conformation of the basic pancreatic trypsin inhibitor (BPTI). I. 1H NMR studies.

Authors:  G Wagner; A DeMarco; K Wüthrich
Journal:  Biophys Struct Mech       Date:  1976-08-23

7.  Refinement of the x-ray structure of lysozyme by complete energy minimization.

Authors:  P K Warme; H A Scheraga
Journal:  Biochemistry       Date:  1974-02-12       Impact factor: 3.162

8.  Energy refinement of hen egg-white lysozyme.

Authors:  M Levitt
Journal:  J Mol Biol       Date:  1974-01-25       Impact factor: 5.469

9.  Protein structural fluctuations during a period of 100 ps.

Authors:  M Karplus; J A McCammon
Journal:  Nature       Date:  1979-02-15       Impact factor: 49.962

10.  Dynamics of ligand binding to myoglobin.

Authors:  R H Austin; K W Beeson; L Eisenstein; H Frauenfelder; I C Gunsalus
Journal:  Biochemistry       Date:  1975-12-02       Impact factor: 3.162
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  3 in total

1.  Enhanced resolution of fluorescence anisotropy decays by simultaneous analysis of progressively quenched samples. Applications to anisotropic rotations and to protein dynamics.

Authors:  J R Lakowicz; H Cherek; I Gryczynski; N Joshi; M L Johnson
Journal:  Biophys J       Date:  1987-05       Impact factor: 4.033

2.  A computational approach for predicting off-target toxicity of antiviral ribonucleoside analogues to mitochondrial RNA polymerase.

Authors:  Holly Freedman; Philip Winter; Jack Tuszynski; D Lorne Tyrrell; Michael Houghton
Journal:  J Biol Chem       Date:  2018-05-08       Impact factor: 5.157

3.  Atomistic picture of conformational exchange in a T4 lysozyme cavity mutant: an experiment-guided molecular dynamics study.

Authors:  Pramodh Vallurupalli; Nilmadhab Chakrabarti; Régis Pomès; Lewis E Kay
Journal:  Chem Sci       Date:  2016-01-07       Impact factor: 9.825
  3 in total

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