van Gunsteren, Wilfred F.; Dolenc, Jozica
Thirty-five years of biomolecular simulation: development of methodology, force fields and software
MOLECULAR SIMULATION, 38:1271-1281, 2012

Computer simulation of biomolecular systems has become a standard research instrument for the investigation of biomolecular processes at the atomic level of modelling and interpretation. A bird's eye view of the development of simulation methodology, of biomolecular interaction functions and simulation software is presented, together with the challenges in regard to these three aspects of biomolecular simulation.

DOI:10.1080/08927022.2012.701744

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