Tang-Qing Yu

Courant Institute of Mathematical Sciences — United States

Biochemistry, Genetics and Molecular Biology · Life Sciences

7h-index486citations9works0.02yr avg
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Research Topics

Protein Structure and Dynamics(8), Spectroscopy and Quantum Chemical Studies(3), Crystallography and molecular interactions(2), Crystallization and Solubility Studies(2), Advanced Chemical Physics Studies(1)

Publications9 total

Multiscale implementation of infinite-swap replica exchange molecular dynamics
Proceedings of the National Academy of Sciences·2016· 40 citedOpen Access
Kinetics of O<sub>2</sub> Entry and Exit in Monomeric Sarcosine Oxidase via Markovian Milestoning Molecular Dynamics
Journal of Chemical Theory and Computation·2016· 5 citedOpen Access
Resorcinol Crystallization from the Melt: A New Ambient Phase and New “Riddles”
Journal of the American Chemical Society·2016· 81 citedOpen Access
Locating landmarks on high-dimensional free energy surfaces
Proceedings of the National Academy of Sciences·2015· 85 citedOpen Access
Full Kinetics of CO Entry, Internal Diffusion, and Exit in Myoglobin from Transition-Path Theory Simulations
Journal of the American Chemical Society·2015· 42 citedOpen Access
Order-parameter-aided temperature-accelerated sampling for the exploration of crystal polymorphism and solid-liquid phase transitions
The Journal of Chemical Physics·2014· 85 citedOpen Access
Sampling saddle points on a free energy surface
The Journal of Chemical Physics·2014· 26 cited
Constrained molecular dynamics in the isothermal-isobaric ensemble and its adaptation for adiabatic free energy dynamics
The European Physical Journal Special Topics·2011· 5 cited
Temperature-Accelerated Method for Exploring Polymorphism in Molecular Crystals Based on Free Energy
Physical Review Letters·2011· 117 cited

Frequent Co-authors

Mark E. Tuckerman(6), Ming Chen(4), Eric Vanden‐Eijnden(4), Cameron F. Abrams(3), Amit Samanta(2), Pei-Yang Chen(1), Qiang Zhu(1), Alexander G. Shtukenberg(1), Damien J. Carter(1), Jingxiang Yang(1), Paolo Raiteri(1), Artem R. Oganov(1), Boaz Pokroy(1), Iryna Polishchuk(1), Peter J. Bygrave(1), Graeme M. Day(1), Andrew L. Rohl(1), Bart Kahr(1), Mauro Lapelosa(1), Jianfeng Lu(1)