Building a More Predictive Protein Force Field: A Systematic and Reproducible Route to AMBER-FB15
- Lee-Ping Wang
- Keri A. McKiernan
- et al.
- 2017
- Journal of Physical Chemistry B
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7 results for Vijay S. Pande
Optimal use of data in parallel tempering simulations for the construction of discrete-state Markov models of biomolecular dynamics
- Jan-Hendrik Prinz
- John D. Chodera
- et al.
- 2011
- Journal of Chemical Physics
Dynamical reweighting: Improved estimates of dynamical properties from simulations at multiple temperatures
- John D. Chodera
- William C. Swope
- et al.
- 2011
- Journal of Chemical Physics
Comparison of computational approaches for predicting the effects of missense mutations on p53 function
- Lillian T. Chong
- Jed W. Pitera
- et al.
- 2009
- Journal of Molecular Graphics and Modelling
Automatic discovery of metastable states for the construction of Markov models of macromolecular conformational dynamics
- John D. Chodera
- Nina Singhal
- et al.
- 2007
- Journal of Chemical Physics
Kinetic computational alanine scanning: Application to p53 oligomerization
- Lillian T. Chong
- William C. Swope
- et al.
- 2006
- Journal of Molecular Biology
Extremely 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
- et al.
- 2003
- Journal of Chemical Physics