Hydrophobic Collapse in Multidomain Protein Folding
We performed molecular dynamics simulations of the collapse of a two-domain protein, the BphC enzyme, into a globular structure to examine how water molecules mediate hydrophobi...
Publications
4 shownDevelopment of an Accurate and Robust Polarizable Molecular Mechanics Force Field from ab Initio Quantum Chemistry
We have produced a polarizable force field for a series of small molecules, representative of functional groups found in organic and biochemical systems. We have used high-level...
Reversible multiple time scale molecular dynamics
The Trotter factorization of the Liouville propagator is used to generate new reversible molecular dynamics integrators. This strategy is applied to derive reversible reference ...
Integrated Modeling Program, Applied Chemical Theory (IMPACT)
Abstract We provide an overview of the IMPACT molecular mechanics program with an emphasis on recent developments and a description of its current functionality. With respect to...
Frequent Co-Authors
Researcher Info
- h-index
- 4
- Publications
- 4
- Citations
- 5,709
- Institution
- Columbia University
External Links
Impact Metrics
h-index
4
h-index: Number of publications with at least h citations each.