| Open Science Discovery of Potent Non-Covalent SARS-CoV-2 Main Protease Inhibitors COVID Moonshot Consortium, H Achdout, A Aimon, DS Alonzi, R Arbon, ... BioRxiv, 2020.10. 29.339317, 2020 | 36 | 2020 |
| Transition from collectivity to single-particle degrees of freedom from magnetic moment measurements on and GJ Kumbartzki, N Benczer-Koller, S Burcher, A Ratkiewicz, SL Rice, ... Physical Review C 89 (6), 064305, 2014 | 29 | 2014 |
| Open science discovery of potent noncovalent SARS-CoV-2 main protease inhibitors ML Boby, D Fearon, M Ferla, M Filep, L Koekemoer, MC Robinson, ... Science 382 (6671), eabo7201, 2023 | 25 | 2023 |
| Routine million-particle simulations of epoxy curing with dissipative particle dynamics S Thomas, M Alberts, MM Henry, CE Estridge, E Jankowski Journal of Theoretical and Computational Chemistry 17 (03), 1840005, 2018 | 16 | 2018 |
| Openmm 8: Molecular dynamics simulation with machine learning potentials P Eastman, R Galvelis, RP Peláez, CRA Abreu, SE Farr, E Gallicchio, ... The Journal of Physical Chemistry B 128 (1), 109-116, 2023 | 15 | 2023 |
| Simplified models for accelerated structural prediction of conjugated semiconducting polymers MM Henry, ML Jones, SD Oosterhout, WA Braunecker, TW Kemper, ... The Journal of Physical Chemistry C 121 (47), 26528-26538, 2017 | 15 | 2017 |
| Optimization and validation of efficient models for predicting polythiophene self-assembly ED Miller, ML Jones, MM Henry, P Chery, K Miller, E Jankowski Polymers 10 (12), 1305, 2018 | 12 | 2018 |
| Perspective on coarse-graining, cognitive load, and materials simulation E Jankowski, N Ellyson, JW Fothergill, MM Henry, MH Leibowitz, ... Computational Materials Science 171, 109129, 2020 | 9 | 2020 |
| Glotzerlab/signac CS Adorf, V Ramasubramani, BD Dice, MM Henry, PM Dodd, SC Glotzer Zenodo, Dataset https://doi. org/https://doi. org/10.5281/zenodo2581327, 2019 | 9 | 2019 |
| Identifying and overcoming the sampling challenges in relative binding free energy calculations of a model protein: protein complex I Zhang, DA Rufa, I Pulido, MM Henry, LE Rosen, K Hauser, S Singh, ... Journal of Chemical Theory and Computation 19 (15), 4863-4882, 2023 | 8 | 2023 |
| glotzerlab/signac, 2019 CS Adorf, V Ramasubramani, BD Dice, MM Henry, PM Dodd, SC Glotzer | 7 | |
| Incidence and predictive factors for additional opioid prescription after endoscopic skull base surgery SA Shen, A Jafari, JR Qualliotine, AS DeConde Journal of Neurological Surgery Part B: Skull Base 81 (03), 301-307, 2020 | 6 | 2020 |
| Self-assembly of ge and gaas quantum dots under tensile strain on InAlAs (111) A KE Sautter, CF Schuck, JC Smith, KD Vallejo, TA Garrett, J Soares, ... Crystal Growth & Design 21 (3), 1674-1682, 2021 | 4 | 2021 |
| General-purpose coarse-grained toughened thermoset model for 44DDS/DGEBA/PES MM Henry, S Thomas, M Alberts, CE Estridge, B Farmer, O McNair, ... Polymers 12 (11), 2547, 2020 | 3 | 2020 |
| Signac: Data Management and Workflows for Computational Researchers B Dice, B Butler, V Ramasubramani, A Travitz, M Henry, H Ojha, K Wang, ... Proceedings of the Python in Science Conference, 2021 | 2 | 2021 |
| Application of artificial neural networks to identify equilibration in computer simulations MH Leibowitz, ED Miller, MM Henry, E Jankowski Journal of Physics: Conference Series 921 (1), 012013, 2017 | 2 | 2017 |
| Correction to Identifying and Overcoming the Sampling Challenges in Relative Binding Free Energy Calculations of a Model Protein: Protein Complex I Zhang, DA Rufa, I Pulido, MM Henry, LE Rosen, K Hauser, S Singh, ... Journal of chemical theory and computation 20 (2), 990-991, 2024 | 1 | 2024 |
| Kartograf: A Geometrically Accurate Atom Mapper for Hybrid-Topology Relative Free Energy Calculations B Ries, I Alibay, DWH Swenson, HM Baumann, MM Henry, JRB Eastwood, ... Journal of Chemical Theory and Computation, 2024 | | 2024 |
| Kartograf: An Accurate Geometry-Based Atom Mapper for Hybrid Topology Relative Free Energy Calculations B Ries, I Alibay, DWH Swenson, HM Baumann, MM Henry, JRB Eastwood, ... | | 2023 |
| Screening of Organic Photovoltaic Morphologies Enabled By Mosdef Tools, Continuous Integration, and Test-Driven Development. J Fothergill, C Jones, M Jones, M Henry, J Gilmer, RS DeFever, E Maginn, ... 2021 AIChE Annual Meeting, 2021 | | 2021 |
