Publications by authors named "Tang-Qing Yu"

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Multiscale implementation of infinite-swap replica exchange molecular dynamics.
Tang-Qing Yu, Jianfeng Lu, Cameron F Abrams, Eric Vanden-Eijnden

Proc Natl Acad Sci U S A· October 2016

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Kinetics of O2 Entry and Exit in Monomeric Sarcosine Oxidase via Markovian Milestoning Molecular Dynamics.
Anthony Bucci, Tang-Qing Yu, Eric Vanden-Eijnden, Cameron F Abrams

J Chem Theory Comput· June 2016

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Resorcinol Crystallization from the Melt: A New Ambient Phase and New "Riddles".
Qiang Zhu, Alexander G Shtukenberg, Damien J Carter, Tang-Qing Yu, Jingxiang Yang

J Am Chem Soc· April 2016

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Structure modeling, synthesis and X-ray diffraction determination of an extra-large calixarene-based coordination cage and its application in drug delivery.
Shangchao Du, Tang-Qing Yu, Wuping Liao, Chunhua Hu

Dalton Trans· August 2015

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Full kinetics of CO entry, internal diffusion, and exit in myoglobin from transition-path theory simulations.
Tang-Qing Yu, Mauro Lapelosa, Eric Vanden-Eijnden, Cameron F Abrams

J Am Chem Soc· March 2015

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Locating landmarks on high-dimensional free energy surfaces.
Ming Chen, Tang-Qing Yu, Mark E Tuckerman

Proc Natl Acad Sci U S A· March 2015

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Microscopic mechanisms of equilibrium melting of a solid.
Amit Samanta, Mark E Tuckerman, Tang-Qing Yu, Weinan E

Science· November 2014

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Order-parameter-aided temperature-accelerated sampling for the exploration of crystal polymorphism and solid-liquid phase transitions.
Tang-Qing Yu, Pei-Yang Chen, Ming Chen, Amit Samanta, Eric Vanden-Eijnden

J Chem Phys· June 2014

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Sampling saddle points on a free energy surface.
Amit Samanta, Ming Chen, Tang-Qing Yu, Mark Tuckerman, Weinan E

J Chem Phys· April 2014

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Characterization of neurovascular compression in facial neuralgia patients by 3D high-resolution MRI and image fusion technique.
Jing Chen, Zi-Yi Guo, Guang Yang, Xiong Wang, Qing-Yu Tang, Yue-Qiong Cheng

Asian Pac J Trop Med· June 2012

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Temperature-accelerated method for exploring polymorphism in molecular crystals based on free energy.
Tang-Qing Yu, Mark E Tuckerman

Phys Rev Lett· July 2011

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How to promote sluggish electrocyclization of 1,3,5-hexatrienes by captodative substitution.
Tang-Qing Yu, Yao Fu, Lei Liu, Qing-Xiang Guo

J Org Chem· August 2006

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Quantum-chemical predictions of redox potentials of organic anions in dimethyl sulfoxide and reevaluation of bond dissociation enthalpies measured by the electrochemical methods.
Yao Fu, Lei Liu, Yi-Min Wang, Jia-Ning Li, Tang-Qing Yu

J Phys Chem A· May 2006

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