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

Natural Sciences, Biochemistry, Chemistry +13

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

Natural Sciences, Chemistry, Physics +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

Natural Sciences, Chemical Engineering, Materials Science +13

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

Life Sciences, Biochemistry, Catalysis +15

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

Life Sciences, Biophysics, Medicinal Chemistry +17