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Publications by Vijay S. Pande

Cloud-Based Simulations on Google Exacycle Reveal Ligand Modulation of GPCR Activation Pathways

Nature Chemistry

Chemical Engineering

English

A Network of Molecular Switches Controls the Activation of the Two-Component Response Regulator NtrC

Nature Communications

Molecular Biology

English

Heat Dissipation Guides Activation in Signaling Proteins

Proceedings of the National Academy of Sciences of the United States of America

Multidisciplinary

English

Atomic-Resolution Simulations Predict a Transition State for Vesicle Fusion Defined by Contact of a Few Lipid Tails

PLoS Computational Biology

Molecular Neuroscience

Molecular Biology

Computational Theory

English

Activation Pathways of Kinases Reveal Intermediate States as Novel Targets for Drug Design

Biophysical Journal

English

On the Origins of Regulated Disorder Within the C-Terminus of P53

Biophysical Journal

English

Modeling Molecular Kinetics With tICA and the Kernel Trick

Journal of Chemical Theory and Computation

Theoretical Chemistry

Computer Science Applications

English

Calculation of Rate Spectra From Noisy Time Series Data

Proteins: Structure, Function and Genetics

Structural Biology

Molecular Biology

English

Millisecond Dynamics of BTK Reveal Kinome-Wide Conformational Plasticity Within the Apo Kinase Domain

Scientific Reports

Multidisciplinary

English

Optimal Use of Data in Parallel Tempering Simulations for the Construction of Discrete-State Markov Models of Biomolecular Dynamics

Journal of Chemical Physics

Theoretical Chemistry

English