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Physical Review Letters
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July 30, 2011
Temperature-accelerated method for exploring polymorphism in molecular crystals based on free energy
Tang-Qing Yu, Mark E Tuckerman
Proceedings of the National Academy of Sciences of the United States of America
|
March 5, 2015
Locating landmarks on high-dimensional free energy surfaces
Ming Chen, Tang-Qing Yu, Mark E Tuckerman
Dalton Transactions (Cambridge, England : 2003)
|
July 23, 2015
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, et al.
Science (New York, N.Y.)
|
November 8, 2014
Microscopic mechanisms of equilibrium melting of a solid
Amit Samanta, Mark E Tuckerman, Tang-Qing Yu, et al.
The Journal of Organic Chemistry
|
July 29, 2006
How to promote sluggish electrocyclization of 1,3,5-hexatrienes by captodative substitution
Tang-Qing Yu, Yao Fu, Lei Liu, et al.
Proceedings of the National Academy of Sciences of the United States of America
|
October 5, 2016
Multiscale implementation of infinite-swap replica exchange molecular dynamics
Tang-Qing Yu, Jianfeng Lu, Cameron F Abrams, et al.
Journal of Chemical Theory and Computation
|
May 12, 2016
Kinetics of O2 Entry and Exit in Monomeric Sarcosine Oxidase via Markovian Milestoning Molecular Dynamics
Anthony Bucci, Tang-Qing Yu, Eric Vanden-Eijnden, et al.
Journal of the American Chemical Society
|
February 10, 2015
Full kinetics of CO entry, internal diffusion, and exit in myoglobin from transition-path theory simulations
Tang-Qing Yu, Mauro Lapelosa, Eric Vanden-Eijnden, et al.
The Journal of Chemical Physics
|
May 3, 2014
Sampling saddle points on a free energy surface
Amit Samanta, Ming Chen, Tang-Qing Yu, et al.
The Journal of Chemical Physics
|
June 9, 2014
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, et al.
Page
of 2
Search research articles
Search
Showing results (1-10 of 12) with videos related to
Sort By:
Page
of 2
Physical Review Letters
|
July 30, 2011
Temperature-accelerated method for exploring polymorphism in molecular crystals based on free energy
Tang-Qing Yu, Mark E Tuckerman
Proceedings of the National Academy of Sciences of the United States of America
|
March 5, 2015
Locating landmarks on high-dimensional free energy surfaces
Ming Chen, Tang-Qing Yu, Mark E Tuckerman
Dalton Transactions (Cambridge, England : 2003)
|
July 23, 2015
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, et al.
Science (New York, N.Y.)
|
November 8, 2014
Microscopic mechanisms of equilibrium melting of a solid
Amit Samanta, Mark E Tuckerman, Tang-Qing Yu, et al.
The Journal of Organic Chemistry
|
July 29, 2006
How to promote sluggish electrocyclization of 1,3,5-hexatrienes by captodative substitution
Tang-Qing Yu, Yao Fu, Lei Liu, et al.
Proceedings of the National Academy of Sciences of the United States of America
|
October 5, 2016
Multiscale implementation of infinite-swap replica exchange molecular dynamics
Tang-Qing Yu, Jianfeng Lu, Cameron F Abrams, et al.
Journal of Chemical Theory and Computation
|
May 12, 2016
Kinetics of O2 Entry and Exit in Monomeric Sarcosine Oxidase via Markovian Milestoning Molecular Dynamics
Anthony Bucci, Tang-Qing Yu, Eric Vanden-Eijnden, et al.
Journal of the American Chemical Society
|
February 10, 2015
Full kinetics of CO entry, internal diffusion, and exit in myoglobin from transition-path theory simulations
Tang-Qing Yu, Mauro Lapelosa, Eric Vanden-Eijnden, et al.
The Journal of Chemical Physics
|
May 3, 2014
Sampling saddle points on a free energy surface
Amit Samanta, Ming Chen, Tang-Qing Yu, et al.
The Journal of Chemical Physics
|
June 9, 2014
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, et al.
Page
of 2