Prati
Christopher T. Lee
Naslov
Citirano
Citirano
Godina
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
2492016
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
2322016
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
1122014
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
572020
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
522015
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
452016
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
422018
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
362019
Exascale Computing: A New Dawn for Computational Biology
CT Lee, RE Amaro
Computing in Science & Engineering 20 (5), 18-25, 2018
322018
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
312020
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
282022
Mem3DG: modeling membrane mechanochemical dynamics in 3D using discrete differential geometry
C Zhu, CT Lee, P Rangamani
Biophysical reports 2 (3), 100062, 2022
252022
The ins and outs of membrane bending by intrinsically disordered proteins
F Yuan, CT Lee, A Sangani, JR Houser, L Wang, EM Lafer, P Rangamani, ...
Science Advances 9 (27), eadg3485, 2023
242023
Cristae formation is a mechanical buckling event controlled by the inner mitochondrial membrane lipidome
K Venkatraman, CT Lee, GC Garcia, A Mahapatra, D Milshteyn, G Perkins, ...
The EMBO Journal 42 (24), e114054, 2023
192023
Dendritic spine morphology regulates calcium-dependent synaptic weight change
MK Bell, MV Holst, CT Lee, P Rangamani
Journal of General Physiology 154 (8), e202112980, 2022
192022
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
192021
Value of models for membrane budding
CT Lee, M Akamatsu, P Rangamani
Current Opinion in Cell Biology 71, 38-45, 2021
112021
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
92019
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
72020
SMART: Spatial Modeling Algorithms for Reaction and Transport
JG Laughlin, JS Dokken, HNT Finsberg, EA Francis, CT Lee, ME Rognes, ...
arXiv preprint arXiv:2306.07368, 2023
62023
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