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List of works by Mark J Williamson

Advancements in Molecular Dynamics Simulations of Biomolecules on Graphical Processing Units

article

Computational prediction of metabolism: sites, products, SAR, P450 enzyme dynamics, and mechanisms

scientific article (publication date: 26 March 2012)

Cytochrome P450 site of metabolism prediction from 2D topological fingerprints using GPU accelerated probabilistic classifiers

scientific article (publication date: 2014)

Modes of action of the archaeal Mre11/Rad50 DNA-repair complex revealed by fast-scan atomic force microscopy

scientific article published on 15 June 2020

NWChem: Past, present, and future

scientific article published on 01 May 2020

Recent developments in the PySCF program package

scientific article published on 01 July 2020

Routine Microsecond Molecular Dynamics Simulations with AMBER on GPUs. 1. Generalized Born

scientific article

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