Literature DB >> 19431769

Molecular dynamics simulation by atomic mass weighting.

B Mao1, A R Friedman.   

Abstract

A molecular dynamics-based simulation method in which atomic masses are weighted is described. Results from this method showed that the capability for conformation search in molecular dynamics simulation of a short peptide (FMRF-amide) is significantly increased by mass weighting.

Entities:  

Year:  1990        PMID： 19431769      PMCID： PMC1281022          DOI： 10.1016/S0006-3495(90)82424-3

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


  12 in total

1.  Theoretical studies of the structure and molecular dynamics of a peptide crystal.

Authors:  D H Kitson; A T Hagler
Journal:  Biochemistry       Date:  1988-07-12       Impact factor: 3.162

2.  Anisotropy and anharmonicity of atomic fluctuations in proteins: analysis of a molecular dynamics simulation.

Authors:  T Ichiye; M Karplus
Journal:  Proteins       Date:  1987

3.  Molecular dynamics of myoglobin at 298 degrees K. Results from a 300-ps computer simulation.

Authors:  R M Levy; R P Sheridan; J W Keepers; G S Dubey; S Swaminathan; M Karplus
Journal:  Biophys J       Date:  1985-09       Impact factor: 4.033

4.  Dynamics and conformational energetics of a peptide hormone: vasopressin.

Authors:  A T Hagler; D J Osguthorpe; P Dauber-Osguthorpe; J C Hempel
Journal:  Science       Date:  1985-03-15       Impact factor: 47.728

5.  Molecular dynamics of ferrocytochrome c: anharmonicity of atomic displacements.

Authors:  B Mao; M R Pear; J A McCammon; S H Northrup
Journal:  Biopolymers       Date:  1982-10       Impact factor: 2.505

6.  Molecular dynamics of ferrocytochrome c. Magnitude and anisotropy of atomic displacements.

Authors:  S H Northrup; M R Pear; J D Morgan; J A McCammon; M Karplus
Journal:  J Mol Biol       Date:  1981-12-25       Impact factor: 5.469

7.  Intramolecular flexibility in phenylalanine transfer RNA.

Authors:  S C Harvey; J A McCammon
Journal:  Nature       Date:  1981-11-19       Impact factor: 49.962

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

Authors:  B Brooks; M Karplus
Journal:  Proc Natl Acad Sci U S A       Date:  1983-11       Impact factor: 11.205

9.  Dynamics of a small globular protein in terms of low-frequency vibrational modes.

Authors:  N Go; T Noguti; T Nishikawa
Journal:  Proc Natl Acad Sci U S A       Date:  1983-06       Impact factor: 11.205

10.  A neuromodulator of synaptic transmission acts on the secretory apparatus as well as on ion channels.

Authors:  H Man-Son-Hing; M J Zoran; K Lukowiak; P G Haydon
Journal:  Nature       Date:  1989-09-21       Impact factor: 49.962
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  4 in total

1.  Molecular-dynamics investigation of molecular flexibility in ligand binding.

Authors:  B Mao
Journal:  Biochem J       Date:  1992-11-15       Impact factor: 3.857

2.  Mass-weighted molecular dynamics simulation of the protein-ligand complex of rhizopuspepsin and inhibitor.

Authors:  B Mao
Journal:  Biophys J       Date:  1991-10       Impact factor: 4.033

3.  Mass-weighted molecular dynamics simulation and conformational analysis of polypeptide.

Authors:  B Mao
Journal:  Biophys J       Date:  1991-09       Impact factor: 4.033

4.  Low-mass molecular dynamics simulation for configurational sampling enhancement: More evidence and theoretical explanation.

Authors:  Yuan-Ping Pang
Journal:  Biochem Biophys Rep       Date:  2015-09-02
  4 in total

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