RECCR Rensselaer Exploratory Center for Cheminformatics Research

Project Aims

References

Co-PI: Angel Garcia

Project Modules


News Members Projects Publications Software Data MLI ECCRS
Potential of Mean Force Approach for Describing Biomolecular Hydration

References

Garde, S., G. Hummer, et al. (1996). "Hydrophobic hydration: Inhomogeneous water structure near nonpolar molecular solutes." Physical Review. E. Statistical Physics, Plasmas, Fluids, and Related Interdisciplinary Topics 53(5): R4310-R4313.

Hummer, G., A. E. Garcia, et al. (1995). "Hydration of nucleic acid fragments: comparison of theory and experiment for high-resolution crystal

Hummer, G., A. E. Garcia, et al. (1995). "Hydration of Nucleic-Acid Fragments : Comparison of Theory and Experiment for High-Resolution Crystal-Structures of Rna ; DNA ; and DNA-Drug Complexes." Biophysical Journal 68(5): 1639-1652.

Hummer, G., A. E. Garcia, et al. (1996). "A statistical mechanical description of biomolecular hydration." Faraday Discuss(103): 175-89.

Garcia, A. E. and G. Hummer (2000). "Water penetration and escape in proteins." Proteins 38(3): 261-72.

Garcia, A. E., G. Hummer, et al. (1997). "Hydration of an alpha-helical peptide: comparison of theory and molecular dynamics simulation." Proteins 27(4): 471-80.

Garde, S., G. Hummer, et al. (1996). "Hydrophobic hydration: Inhomogeneous water structure near nonpolar molecular solutes." Physical Review. E. Statistical Physics, Plasmas, Fluids, and Related Interdisciplinary Topics 53(5): R4310-R4313.

Petrone, P. M. and A. E. Garcia (2004). "MHC-peptide binding is assisted by bound water molecules." Journal of Molecular Biology 338(2): 419-435.

Previous

Rensselaer Polytechnic Institute RECCR Home Page || Member Area || Wiki

Copyright ©2005 Rensselaer Polytechnic Institute
All rights reserved worldwide.