Christopher T. Lee
Cited by
Cited by
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
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
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
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
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
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
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
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
Exascale Computing: A New Dawn for Computational Biology
CT Lee, RE Amaro
Computing in Science & Engineering 20 (5), 18-25, 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
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
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
Value of models for membrane budding
CT Lee, M Akamatsu, P Rangamani
Current Opinion in Cell Biology 71, 38-45, 2021
Mem3DG: modeling membrane mechanochemical dynamics in 3D using discrete differential geometry
C Zhu, CT Lee, P Rangamani
Biophysical reports 2 (3), 100062, 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
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
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
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
Spatiotemporal modeling reveals geometric dependence of AMPAR dynamics on dendritic spine morphology
MK Bell, CT Lee, P Rangamani
The Journal of Physiology, 2022
Forging Pathways to Enable Multiscale Modeling of Cellular Scale Phenomena
University of California, San Diego, 2019
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Articles 1–20