Functional group interaction profiles: a general treatment of solvent effects on non-covalent interactions

por Driver, Mark D., Williamson, Mark J., Cook, Joanne L., Hunter, Christopher A.
Publicado 2020

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

por Tyzack, Jonathan D, Mussa, Hamse Y, Williamson, Mark J, Kirchmair, Johannes, Glen, Robert C
Publicado 2014

A Surface Site Interaction Point Method for Dissipative Particle Dynamics Parametrization: Application to Alkyl Ethoxylate Surfactant Self-Assembly

por Lavagnini, Ennio, Cook, Joanne L., Warren, Patrick B., Williamson, Mark J., Hunter, Christopher A.
Publicado 2020

SSIPTools: Software and Methodology for Surface Site Interaction Point (SSIP) Approach and Applications

por Driver, Mark D., Williamson, Mark J., De Mitri, Nicola, Nikolov, Teodor, Hunter, Christopher A.
Publicado 2021

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

por Götz, Andreas W., Williamson, Mark J., Xu, Dong, Poole, Duncan, Le Grand, Scott, Walker, Ross C.
Publicado 2012

Computational Prediction of Metabolism: Sites, Products, SAR, P450 Enzyme Dynamics, and Mechanisms

por Kirchmair, Johannes, Williamson, Mark J., Tyzack, Jonathan D., Tan, Lu, Bond, Peter J., Bender, Andreas, Glen, Robert C.
Publicado 2012

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

por Zabolotnaya, Ekaterina, Mela, Ioanna, Williamson, Mark J., Bray, Sian M., Yau, Siu Kei, Papatziamou, Dimitra, Edwardson, J. Michael, Robinson, Nicholas P., Henderson, Robert M.
Publicado 2020