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Adam W Duster

Showing results (1-10 of 8) with videos related to

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The Journal of Physical Chemistry. B|August 19, 2017
Restrained Proton Indicator in Combined Quantum-Mechanics/Molecular-Mechanics Dynamics Simulations of Proton Transfer through a Carbon NanotubeAdam W Duster, Hai Lin
Elife|October 13, 2020
Riding elevators into and out of cellsAdam W Duster, Hai Lin
Journal of Chemical Theory and Computation|September 26, 2019
Tracking Proton Transfer through Titratable Amino Acid Side Chains in Adaptive QM/MM SimulationsAdam W Duster, Hai Lin
Molecules (Basel, Switzerland)|August 30, 2018
Adaptive QM/MM for Molecular Dynamics Simulations: 5. On the Energy-Conserved Permuted Adaptive-Partitioning SchemesAdam W Duster, Chun-Hung Wang, Hai Lin
Chemical Physics Letters|October 28, 2021
Improved Indicator Algorithms for Tracking a Hydrated Proton as A Local Structural Defect in Grotthuss Diffusion in Aqueous SolutionsSahitya Talachutla, Shamik Bhat, Adam W Duster, et al.
Journal of Chemical Theory and Computation|August 27, 2021
Adaptive-Partitioning Multilayer Dynamics Simulations: 1. On-the-Fly Switch between Two Quantum Levels of TheoryJoani Mato, Adam W Duster, Emilie B Guidez, et al.
Frontiers in Chemistry|March 30, 2018
Chloride Ion Transport by the <i>E. coli</i> CLC Cl<sup>-</sup>/H<sup>+</sup> Antiporter: A Combined Quantum-Mechanical and Molecular-Mechanical StudyChun-Hung Wang, Adam W Duster, Baris O Aydintug, et al.
Journal of Chemical Theory and Computation|January 16, 2019
Adaptive Partitioning QM/MM for Molecular Dynamics Simulations: 6. Proton Transport through a Biological ChannelAdam W Duster, Christina M Garza, Baris O Aydintug, et al.
Pageof 1

Showing results (1-10 of 8) with videos related to

Sort By:
Pageof 1
The Journal of Physical Chemistry. B|August 19, 2017
Restrained Proton Indicator in Combined Quantum-Mechanics/Molecular-Mechanics Dynamics Simulations of Proton Transfer through a Carbon NanotubeAdam W Duster, Hai Lin
Elife|October 13, 2020
Riding elevators into and out of cellsAdam W Duster, Hai Lin
Journal of Chemical Theory and Computation|September 26, 2019
Tracking Proton Transfer through Titratable Amino Acid Side Chains in Adaptive QM/MM SimulationsAdam W Duster, Hai Lin
Molecules (Basel, Switzerland)|August 30, 2018
Adaptive QM/MM for Molecular Dynamics Simulations: 5. On the Energy-Conserved Permuted Adaptive-Partitioning SchemesAdam W Duster, Chun-Hung Wang, Hai Lin
Chemical Physics Letters|October 28, 2021
Improved Indicator Algorithms for Tracking a Hydrated Proton as A Local Structural Defect in Grotthuss Diffusion in Aqueous SolutionsSahitya Talachutla, Shamik Bhat, Adam W Duster, et al.
Journal of Chemical Theory and Computation|August 27, 2021
Adaptive-Partitioning Multilayer Dynamics Simulations: 1. On-the-Fly Switch between Two Quantum Levels of TheoryJoani Mato, Adam W Duster, Emilie B Guidez, et al.
Frontiers in Chemistry|March 30, 2018
Chloride Ion Transport by the <i>E. coli</i> CLC Cl<sup>-</sup>/H<sup>+</sup> Antiporter: A Combined Quantum-Mechanical and Molecular-Mechanical StudyChun-Hung Wang, Adam W Duster, Baris O Aydintug, et al.
Journal of Chemical Theory and Computation|January 16, 2019
Adaptive Partitioning QM/MM for Molecular Dynamics Simulations: 6. Proton Transport through a Biological ChannelAdam W Duster, Christina M Garza, Baris O Aydintug, et al.
Pageof 1