Ian H Williams

Computing kinetic isotope effects for chorismate mutase with high accuracy. A new DFT/MM strategy.

Sergio Martí, Vicent Moliner, Iñaki Tuñón, 2005, The journal of physical chemistry. B.

Mechanism of glycoside hydrolysis: A comparative QM/MM molecular dynamics analysis for wild type and Y69F mutant retaining xylanases.

Mahmoud E S Soliman, M. Soliman, J. J. R. Pernía, 2009, Organic & biomolecular chemistry.

Catalysis: transition-state molecular recognition?

Ian H Williams, I. H. Williams, 2010, Beilstein journal of organic chemistry.

Theoretical modeling of enzyme catalytic power: analysis of "cratic" and electrostatic factors in catechol O-methyltransferase.

Sergio Martí, Vicent Moliner, Juan Andrés, 2003, Journal of the American Chemical Society.

QM/MM determination of kinetic isotope effects for COMT-catalyzed methyl transfer does not support compression hypothesis.

Vicent Moliner, Iñaki Tuñón, Maite Roca, 2004, Journal of the American Chemical Society.