Henchman, Richard - The University of Manchester

个人简介

BSc (Hons) majoring in Theoretical Chemistry, University of Sydney, 1996. PhD in Physical Chemistry, University of Southampton, 2000. Postdoctoral Fellow, University of California, San Diego, 2000-02. Research Associate, Howard Hughes Medical Institute at the University of California, San Diego, 2002-04. Lecturer, University of Manchester, 2005 - 2013. Senior Lecturer, University of Manchester, 2013 - .

研究领域

We develop new theories and ideas of molecular structure, stability and dynamics generated using computer simulations. This in turn helps the understanding and rational design of molecular systems with parti. Our focus is on liquid-phase and biological systems, although the work is in principle generalisable to any molecular system. MAIN DISCOVERIES: 1. Model for the structure of water. While the standard, text-book models say that water is tetrahedral, we have shown in a parameter-free way how water is a mixture of species varying in the number, strength and directionality of hydrogen bonds. 2. Long-range structuring of water around solutes. Conventional wisdom is that only the first few shells of water are affected by a solute. We detected a weak, long-range structuring which implies that no water in a solution is the same as bulk water. 3. Flexibility in the active site of the HIV enzyme integrase. A new binding site we discovered explained the mutagenesis data of Merck, helping them develop the first FDA-approved inhibitor, raltegravir, for that enzyme.

近期论文

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Julien Michel, Richard H. Henchman, Georgios Gerogiokas, Michelle W. Y. Southey, Michael P. Mazanetz and Richard J. Law. Evaluation of Host/Guest Binding Thermodynamics of Model Cavities with Grid Cell Theory. Journal of Chemical Theory and Computation. 2014 June; eScholarID:232250 | DOI:10.1021/ct500368p Hensen, Ulf; Gräter, Frauke; Henchman, Richard H. Macromolecular entropy can be accurately computed from force. Journal of Chemical Theory and Computation. 2014 October; eScholarID:235763 | DOI:10.1021/ct500684w G. Gerogiokas, G. Calabro, R. H. Henchman, M. W. Y. Southey, R. J. Law, J. Michel. Prediction of small molecule hydration thermodynamics with grid cell theory. Journal of Chemical Theory and Computation. 2014; 10: 35-48. eScholarID:218966 | DOI:10.1021/ct400783h Richard H Henchman, Stuart J Cockram. Water's non-tetrahedral side. Faraday Discussions. 2013 June; 167: 529-550. eScholarID:204000 | DOI:10.1039/C3FD00080J S. J. Irudayam and R. H. Henchman. Long-range hydrogen-bond structure in aqueous solutions and the vapor-water interface. J. Chem. Phys. 2012 July; 137(3): . eScholarID:168854 | DOI:10.1063/1.4735267 J. A. Green, S. J. Irudayam, R. H. Henchman. Molecular interpretation of Trouton's and Hildebrand's rules for the entropy of vaporization of a liquid. J. Chem. Thermodyn. 2011 January; 43: 868-872. eScholarID:135638 | DOI:10.1016/j.jct.2011.01.003 S. J. Irudayam and R. H. Henchman. Prediction and interpretation of the hydration entropies of monovalent cations and anions. Mol. Phys. 2011 January; 109: 37-48. eScholarID:135639 | DOI:10.1080/00268976.2010.532162