Jonathan P. McNamara

Semi-empirical molecular orbital methods including dispersion corrections for the accurate prediction of the full range of intermolecular interactions in biomolecules

Jonathan P. McNamara, Ian H. Hillier · Physical Chemistry Chemical Physics · 2007 · 135 citations

Density Functional and Semiempirical Molecular Orbital Methods Including Dispersion Corrections for the Accurate Description of Noncovalent Interactions Involving Sulfur-Containing Molecules

Claudio A. Morgado, Jonathan P. McNamara, Ian H. Hillier et al. · Journal of Chemical Theory and Computation · 2007 · 78 citations

Engineering, Physics, Physicochemical Analysis +14

Enzyme‐Activated Surfactants for Dispersion of Carbon Nanotubes

Brian G. Cousins, Apurba K. Das, R.P. Sharma et al. · Small · 2009 · 70 citations · Full text

Calculations of hydrogen tunnelling and enzyme catalysis: a comparison of liver alcohol dehydrogenase, methylamine dehydrogenase and soybean lipoxygenase

Gary Tresadern, Jonathan P. McNamara, Matthias Mohr et al. · Chemical Physics Letters · 2002 · 61 citations

Hydrogen Tunnelling, Aldehyde Dehydrogenase, Biochemistry +11

Assessment of QM/MM Scoring Functions for Molecular Docking to HIV-1 Protease

Pedro Fong, Jonathan P. McNamara, Ian H. Hillier et al. · Journal of Chemical Information and Modeling · 2009 · 50 citations

Immunology, Molecular Biology, Computational Chemistry +20