| Emerging computational methods for the rational discovery of allosteric drugs JR Wagner*, CT Lee*, JD Durrant, RD Malmstrom, VA Feher, RE Amaro Chemical reviews 116 (11), 6370-6390, 2016 | 198 | 2016 |
| Simulation-Based Approaches for Determining Membrane Permeability of Small Compounds CT Lee, J Comer, C Herndon, N Leung, A Pavlova, RV Swift, C Tung, ... Journal of Chemical Information and Modeling 56 (4), 721-733, 2016 | 179 | 2016 |
| Application of molecular-dynamics based markov state models to functional proteins RD Malmstrom, CT Lee, AT Van Wart, RE Amaro Journal of chemical theory and computation 10 (7), 2648-2657, 2014 | 98 | 2014 |
| Known structure, unknown function: An inquiry‐based undergraduate biochemistry laboratory course C Gray, CW Price, CT Lee, AH Dewald, MA Cline, CE McAnany, ... Biochemistry and Molecular Biology Education 43 (4), 245-262, 2015 | 49 | 2015 |
| 3D mesh processing using GAMer 2 to enable reaction-diffusion simulations in realistic cellular geometries CT Lee, JG Laughlin, NA de La Beaumelle, RE Amaro, JA McCammon, ... PLOS Computational Biology 16 (4), e1007756, 2020 | 39 | 2020 |
| Two relations to estimate membrane permeability using milestoning LW Votapka*, CT Lee*, RE Amaro The Journal of Physical Chemistry B 120 (33), 8606-8616, 2016 | 38 | 2016 |
| Quantitative Ranking of Ligand Binding Kinetics with a Multiscale Milestoning Simulation Approach BR Jagger, CT Lee, RE Amaro The Journal of Physical Chemistry Letters, 2018 | 37 | 2018 |
| Structural basis for ligand modulation of the CCR2 conformational landscape BC Taylor, CT Lee, RE Amaro Proceedings of the National Academy of Sciences 116 (17), 8131-8136, 2019 | 29 | 2019 |
| Exascale Computing: A New Dawn for Computational Biology CT Lee, RE Amaro Computing in Science & Engineering 20 (5), 18-25, 2018 | 26 | 2018 |
| An Open Source Mesh Generation Platform for Biophysical Modeling Using Realistic Cellular Geometries CT Lee, JG Laughlin, JB Moody, RE Amaro, JA McCammon, MJ Holst, ... Biophysical Journal, 2020 | 21 | 2020 |
| Morphological principles of neuronal mitochondria R Mendelsohn, GC Garcia, TM Bartol, CT Lee, P Khandelwal, E Liu, ... Journal of Comparative Neurology 530 (6), 886-902, 2022 | 9 | 2022 |
| Independent Markov decomposition: Toward modeling kinetics of biomolecular complexes T Hempel, MJ Del Razo, CT Lee, BC Taylor, RE Amaro, F Noé Proceedings of the National Academy of Sciences 118 (31), e2105230118, 2021 | 9 | 2021 |
| Value of models for membrane budding CT Lee, M Akamatsu, P Rangamani Current Opinion in Cell Biology 71, 38-45, 2021 | 9 | 2021 |
| Mem3DG: modeling membrane mechanochemical dynamics in 3D using discrete differential geometry C Zhu, CT Lee, P Rangamani Biophysical reports 2 (3), 100062, 2022 | 7 | 2022 |
| The Implementation of the Colored Abstract Simplicial Complex and its Application to Mesh Generation CT Lee*, JB Moody*, RE Amaro, JA McCammon, M Holst ACM Transactions on Mathematical Software 43 (3), 20, 2019 | 7 | 2019 |
| Applications and Challenges of Machine Learning to Enable Realistic Cellular Simulations R Vasan, MP Rowan, CT Lee, GR Johnson, P Rangamani, M Holst Frontiers in Physics 7, 247, 2020 | 6 | 2020 |
| Role of the triplet state and protein dynamics in the formation and stability of the tryptophan radical in an apoazurin mutant I López-Peña, CT Lee, JJ Rivera, JE Kim The Journal of Physical Chemistry B 126 (36), 6751-6761, 2022 | 2 | 2022 |
| Computational predictions of drug-protein binding kinetics with a hybrid molecular dynamics, Brownian dynamics, and milestoning approach BR Jagger, CT Lee, JA McCammon, RE Amaro Biophysical Journal 116 (3), 562a, 2019 | 2 | 2019 |
| Spatiotemporal modeling reveals geometric dependence of AMPAR dynamics on dendritic spine morphology MK Bell, CT Lee, P Rangamani The Journal of Physiology, 2022 | 1 | 2022 |
| Forging Pathways to Enable Multiscale Modeling of Cellular Scale Phenomena CTK Lee University of California, San Diego, 2019 | 1 | 2019 |
Rommie E. AmaroDistinguished Professorship in Theoretical and Computational Chemistry, UC San Diego.Verified email at ucsd.edu
