![]() ![]() ![]() Unraveling the Differential Aggregation of Anionic and Nonionic Monorhamnolipids at air-water and oil-water Interfaces: A Classical Molecular Dynamics Simulation Study, J. ![]() The mechanism of cardiac tropomyosin transitions on filamentous actin as revealed by all atom steered molecular dynamics simulations, J. SchwartzĪtomic resolution probe for allostery in the regulatory thin filament, Proc. USA, 114, 6456-6461 (2017)Įlectric Fields and Fast Protein Dynamics in Enzymes, J. SchrammĬatalytic site design for inverse heavy enzyme isotope effects in human purine nucleoside phosphorylase, P.N.A.S. Modulating enzyme catalysis through mutations designed to alter rapid protein dynamics, J. Please see my Research Group Webpage for a complete list. I invite you to visit our web page below for more information on research, current group members, and our complete list of publications. Positions are often available in the group for creative postdoctoral fellows and enthusiastic new graduate students. The methods we use involve large scale computation coupled with sophisticated mathematical methods such as rare event simulation, reaction coordinate identification, and unbiased free energy computation along a reactive event.
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