Optimization of parameters for semiempirical methods V: Modification of NDDO approximations and application to 70 elements

by Stewart, James J. P.
Published 2007

Optimization of parameters for semiempirical methods VI: more modifications to the NDDO approximations and re-optimization of parameters

by Stewart, James J. P.
Published 2012

A method for predicting individual residue contributions to enzyme specificity and binding-site energies, and its application to MTH1

by Stewart, James J. P.
Published 2016

Accuracy issues involved in modeling in vivo protein structures using PM7

by Martin, Benjamin P., Brandon, Christopher J., Stewart, James J. P., Braun‐Sand, Sonja B.
Published 2015

A comparison of X-ray and calculated structures of the enzyme MTH1

by Ryan, Hannah, Carter, Megan, Stenmark, Pål, Stewart, James J. P., Braun-Sand, Sonja B.
Published 2016

Standards-based curation of a decade-old digital repository dataset of molecular information

by Harvey, Matthew J, Mason, Nicholas J, McLean, Andrew, Murray-Rust, Peter, Rzepa, Henry S, Stewart, James J P
Published 2015