Expanding p53
We are expanding FAH’s p53 work to other related p53 systems
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First work on cancer
Our first work on cancer has recently been published.
Read moreDimerization of the p53 Oligomerization Domain: Identification of a Folding Nucleus by Molecular Dynamics Simulations.
Lillian T. Chong, Christopher D. Snow, Young Min Rhee, and Vijay S. Pande. Journal of Molecular Biology (2005) SUMMARY: Roughly half of all known cancers result from mutations in p53.…
Read moreUsing path sampling to build better Markovian state models: Predicting the folding rate and mechanism of a tryptophan zipper beta hairpin.
Nina Singhal, Christopher D. Snow, and Vijay S. Pande. Journal of Chemical Physics (2004) SUMMARY: How can Folding@home use thousands to millions of CPUs to efficiently simulate long timescale biomolecular…
Read moreSimulations of the role of water in the protein-folding mechanism.
Young Min Rhee, Eric J. Sorin, Guha Jayachandran, Erik Lindahl, & Vijay S Pande. Proceedings of the National Academy of Sciences (2004) ABSTRACT: There are many unresolved questions regarding the…
Read moreTrp zipper folding kinetics by molecular dynamics and temperature-jump spectroscopy.
Christopher D. Snow, Linlin Qiu, Deguo Du, Feng Gai, Stephen J. Hagen, & Vijay S Pande. Proceedings of the National Academy of Sciences (2004) ABSTRACT: We studied the microsecond folding…
Read moreDoes Native State Topology Determine the RNA Folding Mechanism?
Eric J. Sorin, Bradley J. Nakatani, Young Min Rhee, Guha Jayachandran, V Vishal, & Vijay S Pande. Journal of Molecular Biology (2004) ABSTRACT: Recent studies in protein folding suggest that…
Read moreStructural correspondence between the alpha-helix and the random-flight chain resolves how unfolded proteins can have native-like properties.
Bojan Zagrovic & Vijay S Pande. Nature Structural Biology (2003) ABSTRACT: Recently, we have proposed that, on average, the structure of the unfolded state of small, mostly alpha-helical proteins may…
Read moreEquilibrium Free Energies from Nonequilibrium Measurements Using Maximum-Likelihood Methods.
Michael R. Shirts, Eric Bair, Giles Hooker, and Vijay S Pande. Physical Review Letters (2003) ABSTRACT: We present a maximum likelihood argument for the Bennett acceptance ratio method, and derive…
Read moreExtremely precise free energy calculations of amino acid side chain analogs: Comparison of common molecular mechanics force fields for proteins.
Michael R. Shirts, Jed W. Pitera, William C. Swope, and Vijay S. Pande. Journal of Chemical Physics (2003) ABSTRACT: Quantitative free energy computation involves both using a model that is…
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