| Adaptive quantum/molecular mechanics: What have we learned, where are we, and where do we go from here? AW Duster, CH Wang, CM Garza, DE Miller, H Lin Wiley Interdisciplinary Reviews: Computational Molecular Science 7 (5), e1310, 2017 | 77 | 2017 |
| Adaptive Partitioning QM/MM for Molecular Dynamics Simulations: 6. Proton Transport through a Biological Channel AW Duster, CM Garza, BO Aydintug, MB Negussie, H Lin Journal of chemical theory and computation 15 (2), 892-905, 2019 | 31 | 2019 |
| Adaptive QM/MM for molecular dynamics simulations: 5. On the energy-conserved permuted adaptive-partitioning schemes A Duster, CH Wang, H Lin Molecules 23 (9), 2170, 2018 | 28 | 2018 |
| Tracking Proton Transfer through Titratable Amino Acid Side Chains in Adaptive QM/MM Simulations AW Duster, H Lin Journal of chemical theory and computation, 2019 | 22 | 2019 |
| QMMM H Lin, Y Zhang, S Pezeshki, A Duster, DG Truhlar University of Minnesota, 2017 | 17 | 2017 |
| Adaptive partitioning QM/MM dynamics simulations for substrate uptake, product release, and solvent exchange A Duster, C Garza, H Lin Methods in enzymology 577, 341-357, 2016 | 13 | 2016 |
| Chloride ion transport by the E. coli CLC Cl−/H+ antiporter: A combined quantum-mechanical and molecular-mechanical study CH Wang, AW Duster, BO Aydintug, MKG Zarecki, H Lin Frontiers in chemistry 6, 62, 2018 | 12 | 2018 |
| Restrained proton indicator in combined quantum-mechanics/molecular-mechanics dynamics simulations of proton transfer through a carbon nanotube AW Duster, H Lin The Journal of Physical Chemistry B 121 (36), 8585-8592, 2017 | 8 | 2017 |
| Anion Pathways in CLCF Fluoride/Proton Antiporters NL Chon, AW Duster, B Aydintug, H Lin Chemical Physics Letters, 138123, 2020 | 6 | 2020 |
| Cover Image, Volume 7, Issue 5 AW Duster, CH Wang, CM Garza, DE Miller, H Lin Wiley Interdisciplinary Reviews: Computational Molecular Science 7 (5), e1339, 2017 | 1 | 2017 |
| Membrane Transport: Riding elevators into and out of cells AW Duster, H Lin eLife 9, e62925, 2020 | | 2020 |
| Enabling Proton Transport Through Ion Channels with Adaptive QM/MM AW Duster, H Lin Biophysical Journal 118 (3), 609a, 2020 | | 2020 |
| Proton Transport in E. Coli CLC Transport Protein by Adaptive QM/MM Calculations BO Aydintug, A Duster, C Garza, M Negussie, H Lin Biophysical Journal 116 (3), 432a, 2019 | | 2019 |
| Tools and Methodology for the Adaptive Multiscale Simulation of Proton Transport in Complex Environments AW Duster University of Colorado at Denver, 2017 | | 2017 |
| Adaptive-partitioning QM/MM for dynamics simulations A Duster, C Garza, MK Zarecki, H Lin ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 252, 2016 | | 2016 |
| Molecular dynamics of clusters formed from ammonia, sulfuric acid, and water N Chon, A Duster, H Lin ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 250, 2015 | | 2015 |
| Simulations of Ion Solvation and Transfer by Adaptive-Partitioning QM/MM Dynamics A Duster, H Lin | | |
