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Mark E Tuckerman

Showing results (41-50 of 109) with videos related to

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Nature|June 28, 2002
The nature and transport mechanism of hydrated hydroxide ions in aqueous solutionMark 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 dynamicsElia Schneider, Leslie Vogt, Mark E Tuckerman
Journal of Chemical Information and Modeling|March 24, 2026
MXtalTools: A Toolkit for Machine Learning on Molecular CrystalsMichael 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 functionsJoseph 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 surfacesMing 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 IntegrationAlex 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 dynamicsLula Rosso, Jerry B Abrams, Mark E Tuckerman
Physical Review Letters|September 1, 2018
Unusual Proton Transfer Kinetics in Water at the Temperature of Maximum DensityEmilia 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 dynamicsJerry 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 proteaseZhongwei Zhu, David I Schuster, Mark E Tuckerman
Pageof 11

Showing results (41-50 of 109) with videos related to

Sort By:
Pageof 11
Nature|June 28, 2002
The nature and transport mechanism of hydrated hydroxide ions in aqueous solutionMark 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 dynamicsElia Schneider, Leslie Vogt, Mark E Tuckerman
Journal of Chemical Information and Modeling|March 24, 2026
MXtalTools: A Toolkit for Machine Learning on Molecular CrystalsMichael 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 functionsJoseph 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 surfacesMing 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 IntegrationAlex 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 dynamicsLula Rosso, Jerry B Abrams, Mark E Tuckerman
Physical Review Letters|September 1, 2018
Unusual Proton Transfer Kinetics in Water at the Temperature of Maximum DensityEmilia 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 dynamicsJerry 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 proteaseZhongwei Zhu, David I Schuster, Mark E Tuckerman
Pageof 11