| SARS-CoV-2 simulations go exascale to predict dramatic spike opening and cryptic pockets across the proteome. MI Zimmerman, JR Porter, MD Ward, S Singh, N Vithani, A Meller, ... Nature Chemistry, 651-659, 2021 | 195* | 2021 |
| Predicting the locations of cryptic pockets from single protein structures using the PocketMiner graph neural network A Meller, MD Ward, JH Borowsky, JM Lotthammer, M Kshirsagar, ... Nature Communciations 14 (1177), 2023 | 53 | 2023 |
| Deep learning the structural determinants of protein biochemical properties by comparing structural ensembles with DiffNets MD Ward, MI Zimmerman, A Meller, M Chung, SJ Swamidass, ... Nature communications 12 (1), 3023, 2021 | 50 | 2021 |
| Accelerating cryptic pocket discovery using AlphaFold A Meller, S Bhakat, S Solieva, GR Bowman Journal of Chemical Theory and Computation 19 (14), 4355-4363, 2023 | 35 | 2023 |
| Citizen scientists create an exascale computer to combat COVID-19 MI Zimmerman, JR Porter, MD Ward, S Singh, N Vithani, A Meller, ... BioRxiv, 2020.06. 27.175430, 2020 | 33 | 2020 |
| Conformational distributions of isolated myosin motor domains encode their mechanochemical properties JR Porter, A Meller, MI Zimmerman, MJ Greenberg, GR Bowman Elife 9, e55132, 2020 | 31 | 2020 |
| SARS-CoV-2 simulations go exascale to capture spike opening and reveal cryptic pockets across the proteome MI Zimmerman, JR Porter, MD Ward, S Singh, N Vithani, A Meller, ... BioRxiv, 2020 | 28 | 2020 |
| Drug specificity and affinity are encoded in the probability of cryptic pocket opening in myosin motor domains A Meller, JM Lotthammer, LG Smith, B Novak, LA Lee, CC Kuhn, ... Elife 12, e83602, 2023 | 17 | 2023 |
| Left hemisphere structural connectivity abnormality in pediatric hydrocephalus patients following surgery W Yuan, A Meller, JS Shimony, T Nash, BV Jones, SK Holland, M Altaye, ... NeuroImage: Clinical 12, 631-639, 2016 | 13 | 2016 |
| Functional divergence of the sarcomeric myosin, MYH7b, supports species-specific biological roles LA Lee, SK Barrick, A Meller, J Walklate, JM Lotthammer, JW Tay, ... Journal of Biological Chemistry 299 (1), 2023 | 12 | 2023 |
| Discovery of a cryptic pocket in the AI-predicted structure of PPM1D phosphatase explains the binding site and potency of its allosteric inhibitors A Meller, S De Oliveira, A Davtyan, T Abramyan, GR Bowman, ... Frontiers in Molecular Biosciences 10, 1171143, 2023 | 7 | 2023 |
| Divergent Molecular Phenotypes in Point Mutations at the Same Residue in Beta-Myosin Heavy Chain Lead to Distinct Cardiomyopathies SJ Lehman, A Meller, SO Solieva, JM Lotthammer, L Greenberg, ... bioRxiv, 2023 | 2 | 2023 |
| Toward physics‐based precision medicine: Exploiting protein dynamics to design new therapeutics and interpret variants A Meller, D Kelly, LG Smith, GR Bowman Protein Science 33 (3), e4902, 2024 | 1 | 2024 |
| Homologous mutations in human β, embryonic, and perinatal muscle myosins have divergent effects on molecular power generation C Liu, A Karabina, A Meller, A Bhattacharjee, CJ Agostino, GR Bowman, ... Proceedings of the National Academy of Sciences 121 (9), e2315472121, 2024 | 1 | 2024 |
| Homologous mutations in [... formula...], embryonic, and perinatal muscle myosins have divergent effects on molecular power generation C Liu, A Karabina, A Meller, A Bhattacharjee, CJ Agostino, GR Bowman, ... bioRxiv, 2023 | 1 | 2023 |
| Drug specificity and affinity are encoded in the probability of cryptic pocket opening in myosin motor domains A Meller, JM Lotthammer, LG Smith, B Novak, LA Lee, CC Kuhn, ... bioRxiv, 2022.09. 05.506254, 2022 | 1 | 2022 |
| Rapid and accurate prediction of protein homo-oligomer symmetry with Seq2Symm M Kshirsagar, A Meller, I Humphreys, S Sledzieski, Y Xu, R Dodhia, ... | | 2024 |
| Signatures of allosteric modulator specificity are encoded in myosin motor domain equilibrium fluctuations A Meller, JM Lotthammer, C Kuhn, MJ Greenberg, G Bowman Biophysical Journal 121 (3), 259a, 2022 | | 2022 |
| Exploring the myosin active/auto-inhibited state equilibrium by Markov state modeling JM Lotthammer, A Meller, MJ Greenberg, GR Bowman Biophysical Journal 121 (3), 260a-261a, 2022 | | 2022 |
| Characterizing blebbistatin pocket conformational dynamics with Markov state models B Novak, A Meller, G Bowman Biophysical Journal 121 (3), 260a, 2022 | | 2022 |
