Technical advances in molecular simulation since the 1980s

Martin J Field

doi:10.1016/j.abb.2015.03.005

Technical advances in molecular simulation since the 1980s

Arch Biochem Biophys. 2015 Sep 15:582:3-9. doi: 10.1016/j.abb.2015.03.005. Epub 2015 Mar 13.

Author

Martin J Field¹

Affiliation

¹ Dynamo Team, DYNAMOP Group, UMR 5075, Université Grenoble 1, CNRS, CEA, Institut de Biologie Structurale, 71 Avenue des Martyrs, CS 10090, 38044 Grenoble Cedex 9, France. Electronic address: [email protected].

PMID: 25772387
DOI: 10.1016/j.abb.2015.03.005

Abstract

This review describes how the theory and practice of molecular simulation have evolved since the beginning of the 1980s when the author started his career in this field. The account is of necessity brief and subjective and highlights the changes that the author considers have had significant impact on his research and mode of working.

Keywords: Algorithms; Hardware; Molecular simulation; Software; The last 30years.

Publication types

Historical Article
Research Support, Non-U.S. Gov't
Review

MeSH terms

Algorithms
Computer Simulation / history*
Computers
History, 20th Century
History, 21st Century
Quantum Theory
Software