Literature DB >> 3236048

Dynamic simulation as an essential tool in molecular modeling.

H J Berendsen1.   

Abstract

Mesh：

Year:  1988        PMID： 3236048     DOI： 10.1007/bf01531994

Source DB:  PubMed          Journal:  J Comput Aided Mol Des        ISSN： 0920-654X            Impact factor:   3.686


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  8 in total

1.  Dynamics of folded proteins.

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

2.  Thermodynamic cycle integration by computer simulation as a tool for obtaining free energy differences in molecular chemistry.

Authors:  W F van Gunsteren; H J Berendsen
Journal:  J Comput Aided Mol Des       Date:  1987-07       Impact factor: 3.686

3.  A molecular dynamics computer simulation of an eight-base-pair DNA fragment in aqueous solution: comparison with experimental two-dimensional NMR data.

Authors:  W F Van Gunsteren; H J Berendsen; R G Geurtsen; H R Zwinderman
Journal:  Ann N Y Acad Sci       Date:  1986       Impact factor: 5.691

4.  Free energy calculations by computer simulation.

Authors:  P A Bash; U C Singh; R Langridge; P A Kollman
Journal:  Science       Date:  1987-05-01       Impact factor: 47.728

5.  Free energy perturbation calculations on binding and catalysis after mutating Asn 155 in subtilisin.

Authors:  S N Rao; U C Singh; P A Bash; P A Kollman
Journal:  Nature       Date:  1987 Aug 6-12       Impact factor: 49.962

6.  Molecular dynamics: perspective for complex systems.

Authors:  W F Van Gunsteren; H J Berendsen
Journal:  Biochem Soc Trans       Date:  1982-10       Impact factor: 5.407

7.  Simulations of proteins in water.

Authors:  H J Berendsen; W F Van Gunsteren; H R Zwinderman; R G Geurtsen
Journal:  Ann N Y Acad Sci       Date:  1986       Impact factor: 5.691

8.  Protein dynamics in solution and in a crystalline environment: a molecular dynamics study.

Authors:  W F van Gunsteren; M Karplus
Journal:  Biochemistry       Date:  1982-05-11       Impact factor: 3.162
  8 in total
  3 in total

1.  Resveratrol inhibits phorbol ester-induced membrane translocation of presynaptic Munc13-1.

Authors:  Satyabrata Pany; Anamitra Ghosh; Youngki You; Nga Nguyen; Joydip Das
Journal:  Biochim Biophys Acta Gen Subj       Date:  2017-07-13       Impact factor: 3.770

Review 2.  Symposium overview. The Shell Conference on Computer-Aided Molecular Modelling.

Authors:  G R Hays; D P de Bruijn
Journal:  J Comput Aided Mol Des       Date:  1988-10       Impact factor: 3.686

3.  Novel procedure for thermal equilibration in molecular dynamics simulation.

Authors:  Marco T Gallo; Barry J Grant; Miguel L Teodoro; Julia Melton; Piotr Cieplak; George N Phillips; Boguslaw Stec
Journal:  Mol Simul       Date:  2009-04-01       Impact factor: 2.178
  3 in total

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