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The Journal of Physical Chemistry. B
|
August 5, 2021
pH Effects and Cooperativity among Key Titratable Residues for <i>Escherichia coli</i> Glycinamide Ribonucleotide Transformylase
Pancham Lal Gupta, Justin S Smith, Adrian E Roitberg
Inorganic Chemistry
|
May 8, 2008
Theoretical and experimental studies of diruthenium tetracarboxylates structure, spectroscopy, and electrochemistry
Maria Ana Castro, Adrian E Roitberg, Fabio D Cukiernik
Scientific Reports
|
October 9, 2020
Steered molecular dynamic simulations reveal Marfan syndrome mutations disrupt fibrillin-1 cbEGF domain mechanosensitive calcium binding
Stephen J Haller, Adrian E Roitberg, Andrew T Dudley
Journal of Computational Chemistry
|
February 26, 2013
Simulation of mesogenic diruthenium tetracarboxylates: Development of a force field for coordination polymers of the MMX type
Maria Ana Castro, Adrian E Roitberg, Fabio D Cukiernik
Biochemistry
|
November 7, 2009
Apo and nickel-bound forms of the Pyrococcus horikoshii species of the metalloregulatory protein: NikR characterized by molecular dynamics simulations
Daniel J Sindhikara, Adrian E Roitberg, Kenneth M Merz
Journal of Chemical Theory and Computation
|
December 1, 2015
Exchange Often and Properly in Replica Exchange Molecular Dynamics
Daniel J Sindhikara, Daniel J Emerson, Adrian E Roitberg
The Journal of Physical Chemistry Letters
|
June 13, 2017
Electronic Delocalization, Vibrational Dynamics, and Energy Transfer in Organic Chromophores
Tammie Nelson, Sebastian Fernandez-Alberti, Adrian E Roitberg, et al.
The Journal of Physical Chemistry. B
|
November 10, 2025
TorchANI-Amber: Bridging Neural Network Potentials and Classical Biomolecular Simulations
Ignacio Pickering, Jonathan A Semelak, Jinze Xue, et al.
Biochemistry
|
November 20, 2009
Computational studies of ammonia channel function in glutamine 5'-phosphoribosylpyrophosphate amidotransferase
Xiang S Wang, Adrian E Roitberg, Nigel G J Richards
The Journal of Physical Chemistry. B
|
October 16, 2014
Underlying thermodynamics of pH-dependent allostery
Natali V Di Russo, Marcelo A Martí, Adrian E Roitberg
Page
of 13
Search research articles
Search
Showing results (31-40 of 121) with videos related to
Sort By:
Page
of 13
The Journal of Physical Chemistry. B
|
August 5, 2021
pH Effects and Cooperativity among Key Titratable Residues for <i>Escherichia coli</i> Glycinamide Ribonucleotide Transformylase
Pancham Lal Gupta, Justin S Smith, Adrian E Roitberg
Inorganic Chemistry
|
May 8, 2008
Theoretical and experimental studies of diruthenium tetracarboxylates structure, spectroscopy, and electrochemistry
Maria Ana Castro, Adrian E Roitberg, Fabio D Cukiernik
Scientific Reports
|
October 9, 2020
Steered molecular dynamic simulations reveal Marfan syndrome mutations disrupt fibrillin-1 cbEGF domain mechanosensitive calcium binding
Stephen J Haller, Adrian E Roitberg, Andrew T Dudley
Journal of Computational Chemistry
|
February 26, 2013
Simulation of mesogenic diruthenium tetracarboxylates: Development of a force field for coordination polymers of the MMX type
Maria Ana Castro, Adrian E Roitberg, Fabio D Cukiernik
Biochemistry
|
November 7, 2009
Apo and nickel-bound forms of the Pyrococcus horikoshii species of the metalloregulatory protein: NikR characterized by molecular dynamics simulations
Daniel J Sindhikara, Adrian E Roitberg, Kenneth M Merz
Journal of Chemical Theory and Computation
|
December 1, 2015
Exchange Often and Properly in Replica Exchange Molecular Dynamics
Daniel J Sindhikara, Daniel J Emerson, Adrian E Roitberg
The Journal of Physical Chemistry Letters
|
June 13, 2017
Electronic Delocalization, Vibrational Dynamics, and Energy Transfer in Organic Chromophores
Tammie Nelson, Sebastian Fernandez-Alberti, Adrian E Roitberg, et al.
The Journal of Physical Chemistry. B
|
November 10, 2025
TorchANI-Amber: Bridging Neural Network Potentials and Classical Biomolecular Simulations
Ignacio Pickering, Jonathan A Semelak, Jinze Xue, et al.
Biochemistry
|
November 20, 2009
Computational studies of ammonia channel function in glutamine 5'-phosphoribosylpyrophosphate amidotransferase
Xiang S Wang, Adrian E Roitberg, Nigel G J Richards
The Journal of Physical Chemistry. B
|
October 16, 2014
Underlying thermodynamics of pH-dependent allostery
Natali V Di Russo, Marcelo A Martí, Adrian E Roitberg
Page
of 13