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Disambiguation of "Tunon, I."

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Hybrid QM/MM potentials of mean force with interpolated corrections

, , , , and . JOURNAL OF PHYSICAL CHEMISTRY B, 108 (24): 8427--8433 (2004)

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Nata i i

imun Ko i i

Slobodan Ru i i

I Yang

I Erukhimovich

 

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A hybrid potential reaction path and free energy study of the chorismate mutase reaction, , , , , , and . JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 123 (8): 1709--1712 (2001)A quantum mechanics-molecular mechanics study of dissociative electron transfer: The methylchloride radical anion in aqueous solution, , and . JOURNAL OF CHEMICAL PHYSICS, 116 (14): 6102--6110 (2002)A coupled density functional-molecular mechanics Monte Carlo simulation method: The water molecule in liquid water, , , , and . JOURNAL OF COMPUTATIONAL CHEMISTRY, 17 (1): 19--29 (1996)A hybrid density functional classical molecular dynamics simulation of a water molecule in liquid water, , , and . JOURNAL OF MOLECULAR MODELING, 1 (4): 196--201 (1995)Molecular dynamics simulations of elementary chemical processes in liquid water using combined density functional and molecular mechanics potentials .1. Proton transfer in strongly H-bonded complexes, , , and . JOURNAL OF CHEMICAL PHYSICS, 106 (9): 3633--3642 (1997)A comparative study of claisen and cope Rearrangements catalyzed by chorismate mutase. An insight into enzymatic efficiency: Transition state stabilization or substrate preorganization?, , , , , and . JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 126 (1): 311--319 (2004)Role of protein flexibility in enzymatic catalysis: Quantum mechanical-molecular mechanical study of the deacylation reaction in class A beta-lactamases, , and . JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 124 (8): 1809--1816 (2002)Hybrid QM/MM potentials of mean force with interpolated corrections, , , , and . JOURNAL OF PHYSICAL CHEMISTRY B, 108 (24): 8427--8433 (2004)An Interpretation of Behavioral Consistency of UML-RT Diagrams in Terms of CSP+T., , , and . MSVVEIS, page 74-83. INSTICC PRESS, (2007)An Approach to Structured Parallel Programming Based on a Composition., and . CONIELECOMP, page 42. IEEE Computer Society, (2006)