Pande, Vijay S.

Towards simple kinetic models of functional dynamics for a kinase subfamily

Sultan, M. M., Kiss, G., & Pande, V. S. (2018) · Nature Chemistry

Protein Structure and DynamicsProtein Kinase Regulation and GTPase Signaling

Cited by 68

Optimal use of data in parallel tempering simulations for the construction of discrete-state Markov models of biomolecular dynamics

Prinz, J.-H., Chodera, J. D., Pande, V. S., Swope, W. C., Smith, J. C., & Noé, F. (2011) · The Journal of Chemical Physics

Protein Structure and DynamicsAdvanced Physical and Chemical Molecular Interactions

Cited by 52

A Molecular Interpretation of 2D IR Protein Folding Experiments with Markov State Models

Baiz, C. R., Lin, Y.-S., Peng, C. S., Beauchamp, K. A., Voelz, V. A., Pande, V. S., & Tokmakoff, A. (2014) · Biophysical Journal

Protein Structure and DynamicsSpectroscopy and Quantum Chemical Studies

Cited by 51

Emergence of Glass-like Behavior in Markov State Models of Protein Folding Dynamics

Weber, J. K., Jack, R. L., & Pande, V. S. (2013) · Journal of the American Chemical Society

Protein Structure and DynamicsMaterial Dynamics and Properties

Cited by 50

MSMExplorer: visualizing Markov state models for biomolecule folding simulations

Cronkite-Ratcliff, B., & Pande, V. (2013) · Bioinformatics

Protein Structure and DynamicsAdvanced Physical and Chemical Molecular Interactions

Cited by 25

Building Markov state models with solvent dynamics

Gu, C., Chang, H.-W., Maibaum, L., Pande, V. S., Carlsson, G. E., & Guibas, L. J. (2013) · BMC Bioinformatics

Protein Structure and DynamicsAdvanced Physical and Chemical Molecular Interactions

Cited by 21

Markov modeling reveals novel intracellular modulation of the human TREK-2 selectivity filter

Harrigan, M. P., McKiernan, K. A., Shanmugasundaram, V., Denny, R. A., & Pande, V. S. (2017) · Scientific Reports

Ion channel regulation and functionProtein Structure and Dynamics

Cited by 19

Protein Folding Is Mechanistically Robust

Weber, J. K., & Pande, V. S. (2012) · Biophysical Journal

Protein Structure and DynamicsAdvanced Physical and Chemical Molecular Interactions

Cited by 13

Dynamical model of the CLC-2 ion channel reveals conformational changes associated with selectivity-filter gating

McKiernan, K. A., Koster, A. K., Maduke, M., & Pande, V. S. (2020) · PLOS Computational Biology

Ion channel regulation and functionProtein Structure and Dynamics

Cited by 12

Dynamical model of the CLC-2 ion channel exhibits a two-step gating mechanism

McKiernan, K. A., Koster, A. K., Maduke, M., & Pande, V. S. (2017) · PLoS Computational Biology

Ion channel regulation and functionProtein Structure and Dynamics

Cited by 12

Markov State Models of Millisecond Folder ACBP Reveals New Views of the Folding Reaction

Voelz, V. A., Jäger, M., Zhu, L., Yao, S., Bakajin, O., Weiss, S., Lapidus, L. J., & Pande, V. S. (2011) · Biophysical Journal

Protein Structure and DynamicsRNA and protein synthesis mechanisms

Cited by 9