ProtoMS

This is a list of some of the publications that present results that involved the use of ProtoMS. If you have any publications that you would like added to this list then please add them via the comments box at the bottom of the page (or email the DOI to the developers).

• Classification of Water Molecules in Protein Binding Sites, Caterina Barillari, Justine Taylor, Russell Viner, and Jonathan W. Essex, J. Am. Chem. Soc., 2007, 129 (9), pp 2577–2587, DOI: 10.1021/ja066980q
• Efficient Generalized Born Models for Monte Carlo Simulations, Julien Michel, Richard D. Taylor, and Jonathan W. Essex, J. Chem. Theory Comput., 2006, 2 (3), pp 732–739, DOI: 10.1021/ct600069r
• Protein−Ligand Complexes: Computation of the Relative Free Energy of Different Scaffolds and Binding Modes, Julien Michel, Marcel L. Verdonk, and Jonathan W. Essex, J. Chem. Theory Comput., 2007, 3 (5), pp 1645–1655, DOI: 10.1021/ct700081t
• The parameterization and validation of generalized born models using the pairwise descreening approximation, Julien Michel, Richard D. Taylor, Jonathan W. Essex, Volume 25, Issue 14, pages 1760–1770, DOI: 10.1002/jcc.20105
• Protein−Ligand Binding Affinity by Nonequilibrium Free Energy Methods, Benjamin P. Cossins, Sebastien Foucher, Colin M. Edge and Jonathan W. Essex, J. Phys. Chem. B, 2008, 112 (47), pp 14985–14992, DOI: 10.1021/jp803533w
• An efficient method for the calculation of quantum mechanics/molecular mechanics free energies, Christopher J. Woods, Frederick R. Manby, and Adrian J. Mulholland, J. Chem. Phys. 128, 014109 (2008), DOI: 10.1063/1.2805379