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List of works by Adam W Duster

Adaptive Partitioning QM/MM Dynamics Simulations for Substrate Uptake, Product Release, and Solvent Exchange.

scientific article published on 16 June 2016

Adaptive Partitioning QM/MM for Molecular Dynamics Simulations: 6. Proton Transport through a Biological Channel

scientific article published on 28 January 2019

Adaptive QM/MM for Molecular Dynamics Simulations: 5. On the Energy-Conserved Permuted Adaptive-Partitioning Schemes

scientific article published on 28 August 2018

Chloride Ion Transport by the E. coli CLC Cl-/H+ Antiporter: A Combined Quantum-Mechanical and Molecular-Mechanical Study.

scientific article

Restrained Proton Indicator in Combined Quantum-Mechanics/Molecular-Mechanics Dynamics Simulations of Proton Transfer through a Carbon Nanotube

scientific article published on 18 August 2017

Riding elevators into and out of cells

scientific article published on 13 October 2020

Tracking Proton Transfer through Titratable Amino Acid Side Chains in Adaptive QM/MM Simulations

scientific article published on 07 October 2019

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