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Nature
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June 28, 2002
The nature and transport mechanism of hydrated hydroxide ions in aqueous solution
Mark E Tuckerman, Dominik Marx, Michele Parrinello
Acta Crystallographica Section B, Structural Science, Crystal Engineering and Materials
|
August 4, 2016
Exploring polymorphism of benzene and naphthalene with free energy based enhanced molecular dynamics
Elia Schneider, Leslie Vogt, Mark E Tuckerman
Journal of Chemical Information and Modeling
|
March 24, 2026
MXtalTools: A Toolkit for Machine Learning on Molecular Crystals
Michael Kilgour, Mark E Tuckerman, Jutta Rogal
The Journal of Chemical Physics
|
March 17, 2018
An open-chain imaginary-time path-integral sampling approach to the calculation of approximate symmetrized quantum time correlation functions
Joseph R Cendagorta, Zlatko Bačić, 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
Journal of Chemical Theory and Computation
|
March 5, 2019
Combining Iteration-Free Polarization with Large Time Step Stochastic-Isokinetic Integration
Alex Albaugh, Mark E Tuckerman, Teresa Head-Gordon
The Journal of Physical Chemistry. B
|
July 21, 2006
Mapping the backbone dihedral free-energy surfaces in small peptides in solution using adiabatic free-energy dynamics
Lula Rosso, Jerry B Abrams, Mark E Tuckerman
Physical Review Letters
|
September 1, 2018
Unusual Proton Transfer Kinetics in Water at the Temperature of Maximum Density
Emilia V Silletta, Mark E Tuckerman, Alexej Jerschow
The Journal of Chemical Physics
|
September 1, 2006
Efficient and precise solvation free energies via alchemical adiabatic molecular dynamics
Jerry B Abrams, Lula Rosso, Mark E Tuckerman
Biochemistry
|
February 5, 2003
Molecular dynamics study of the connection between flap closing and binding of fullerene-based inhibitors of the HIV-1 protease
Zhongwei Zhu, David I Schuster, Mark E Tuckerman
Page
of 11
Search research articles
Search
Showing results (41-50 of 109) with videos related to
Sort By:
Page
of 11
Nature
|
June 28, 2002
The nature and transport mechanism of hydrated hydroxide ions in aqueous solution
Mark E Tuckerman, Dominik Marx, Michele Parrinello
Acta Crystallographica Section B, Structural Science, Crystal Engineering and Materials
|
August 4, 2016
Exploring polymorphism of benzene and naphthalene with free energy based enhanced molecular dynamics
Elia Schneider, Leslie Vogt, Mark E Tuckerman
Journal of Chemical Information and Modeling
|
March 24, 2026
MXtalTools: A Toolkit for Machine Learning on Molecular Crystals
Michael Kilgour, Mark E Tuckerman, Jutta Rogal
The Journal of Chemical Physics
|
March 17, 2018
An open-chain imaginary-time path-integral sampling approach to the calculation of approximate symmetrized quantum time correlation functions
Joseph R Cendagorta, Zlatko Bačić, 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
Journal of Chemical Theory and Computation
|
March 5, 2019
Combining Iteration-Free Polarization with Large Time Step Stochastic-Isokinetic Integration
Alex Albaugh, Mark E Tuckerman, Teresa Head-Gordon
The Journal of Physical Chemistry. B
|
July 21, 2006
Mapping the backbone dihedral free-energy surfaces in small peptides in solution using adiabatic free-energy dynamics
Lula Rosso, Jerry B Abrams, Mark E Tuckerman
Physical Review Letters
|
September 1, 2018
Unusual Proton Transfer Kinetics in Water at the Temperature of Maximum Density
Emilia V Silletta, Mark E Tuckerman, Alexej Jerschow
The Journal of Chemical Physics
|
September 1, 2006
Efficient and precise solvation free energies via alchemical adiabatic molecular dynamics
Jerry B Abrams, Lula Rosso, Mark E Tuckerman
Biochemistry
|
February 5, 2003
Molecular dynamics study of the connection between flap closing and binding of fullerene-based inhibitors of the HIV-1 protease
Zhongwei Zhu, David I Schuster, Mark E Tuckerman
Page
of 11