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Christopher T. Lee - Publications

Affiliations: 
2011-2013 Chemistry University of Virginia, Charlottesville, VA 
 2013-2019 Chemistry University of California, San Diego, La Jolla, CA 
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20 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2022 Gan JL, Kumar D, Chen C, Taylor BC, Jagger BR, Amaro RE, Lee CT. Benchmarking ensemble docking methods in D3R Grand Challenge 4. Journal of Computer-Aided Molecular Design. PMID 35199221 DOI: 10.1007/s10822-021-00433-2  0.757
2021 Hempel T, Del Razo MJ, Lee CT, Taylor BC, Amaro RE, Noé F. Independent Markov decomposition: Toward modeling kinetics of biomolecular complexes. Proceedings of the National Academy of Sciences of the United States of America. 118. PMID 34321356 DOI: 10.1073/pnas.2105230118  0.74
2021 Lee C, Dommer AC, Schiffer JM, Amaro RE, Grassian VH, Prather KA. Cation-Driven Lipopolysaccharide Morphological Changes Impact Heterogeneous Reactions of Nitric Acid with Sea Spray Aerosol Particles. The Journal of Physical Chemistry Letters. 12: 5023-5029. PMID 34024101 DOI: 10.1021/acs.jpclett.1c00810  0.435
2020 Lee CT, Laughlin JG, Angliviel de La Beaumelle N, Amaro RE, McCammon JA, Ramamoorthi R, Holst M, Rangamani P. 3D mesh processing using GAMer 2 to enable reaction-diffusion simulations in realistic cellular geometries. Plos Computational Biology. 16: e1007756. PMID 32251448 DOI: 10.1371/Journal.Pcbi.1007756  0.651
2020 Lee CT, Laughlin JG, Moody JB, Amaro RE, McCammon JA, Holst M, Rangamani P. An Open-Source Mesh Generation Platform for Biophysical Modeling Using Realistic Cellular Geometries. Biophysical Journal. PMID 32032503 DOI: 10.1016/J.Bpj.2019.11.3400  0.654
2020 Vasan R, Rowan MP, Lee CT, Johnson GR, Rangamani P, Holst M. Applications and Challenges of Machine Learning to Enable Realistic Cellular Simulations Frontiers in Physics. 7. DOI: 10.3389/Fphy.2019.00247  0.323
2020 Taylor BC, Lee CT, Amaro RE. Using Molecular Simulations to Inform Drug Development Efforts for the GPCR CCR2 Biophysical Journal. 118: 207a. DOI: 10.1016/J.Bpj.2019.11.1242  0.738
2019 Lee CT, Moody JB, Amaro RE, McCammon JA, Holst MJ. The Implementation of the Colored Abstract Simplicial Complex and its Application to Mesh Generation. Acm Transactions On Mathematical Software. Association For Computing Machinery. 45. PMID 31474782 DOI: 10.1145/3321515  0.627
2019 Taylor BC, Lee CT, Amaro RE. Structural basis for ligand modulation of the CCR2 conformational landscape. Proceedings of the National Academy of Sciences of the United States of America. PMID 30975755 DOI: 10.1073/Pnas.1814131116  0.744
2019 Jagger BR, Lee CT, McCammon JA, Amaro RE. Computational Predictions of Drug-Protein Binding Kinetics with a Hybrid Molecular Dynamics, Brownian Dynamics, and Milestoning Approach Biophysical Journal. 116: 562a. DOI: 10.1016/J.Bpj.2018.11.3020  0.658
2019 Laughlin JG, Lee CT, McCammon JA, Amaro RE, Holst M, Rangamani P. Modeling the Impact of Spine Apparatus on Signaling and Regulation in Realistic Dendritic Spine Geometries Biophysical Journal. 116: 237a. DOI: 10.1016/J.Bpj.2018.11.1303  0.607
2018 Lee CT, Amaro RE. Exascale Computing: A New Dawn for Computational Biology. Computing in Science & Engineering. 20: 18-25. PMID 30983889 DOI: 10.1109/Mcse.2018.05329812  0.538
2018 Jagger BR, Lee CT, Amaro RE. Quantitative Ranking of Ligand Binding Kinetics with a Multiscale Milestoning Simulation Approach. The Journal of Physical Chemistry Letters. PMID 30070844 DOI: 10.1021/Acs.Jpclett.8B02047  0.569
2018 Lee CT, Moody J, Holst MJ, McCammon JA, Amaro RE. Gamer 2.0: Software Toolkit for Adaptive Mesh Generation from Structural Biological Datasets Biophysical Journal. 114: 344a. DOI: 10.1016/J.Bpj.2017.11.1921  0.626
2017 Lee C, Moody J, Andrew McCammon J, Holst M, Amaro RE. Investigating Transport Properties with Multi-Scale Computable Mesh Models from Heterogeneous Structural Datasets Biophysical Journal. 112: 293a. DOI: 10.1016/J.Bpj.2016.11.1586  0.559
2016 Votapka LW, Lee CT, Amaro RE. Two Relations to Estimate Membrane Permeability Using Milestoning. The Journal of Physical Chemistry. B. PMID 27154639 DOI: 10.1021/Acs.Jpcb.6B02814  0.507
2016 Wagner JR, Lee CT, Durrant JD, Malmstrom RD, Feher VA, Amaro RE. Emerging Computational Methods for the Rational Discovery of Allosteric Drugs. Chemical Reviews. PMID 27074285 DOI: 10.1021/Acs.Chemrev.5B00631  0.686
2016 Lee CT, Comer J, Herndon C, Leung N, Pavlova A, Swift RV, Tung C, Rowley C, Amaro RE, Chipot C, Wang Y, Gumbart JC. Simulation-based approaches for determining membrane permeability of small compounds. Journal of Chemical Information and Modeling. PMID 27043429 DOI: 10.1021/Acs.Jcim.6B00022  0.54
2015 Gray C, Price CW, Lee CT, Dewald AH, Cline MA, McAnany CE, Columbus L, Mura C. Known structure, unknown function: An inquiry-based undergraduate biochemistry laboratory course. Biochemistry and Molecular Biology Education : a Bimonthly Publication of the International Union of Biochemistry and Molecular Biology. PMID 26148241 DOI: 10.1002/Bmb.20873  0.627
2014 Malmstrom RD, Lee CT, Van Wart A, Amaro RE. On the Application of Molecular-Dynamics Based Markov State Models to Functional Proteins. Journal of Chemical Theory and Computation. 10: 2648-2657. PMID 25473382 DOI: 10.1021/Ct5002363  0.75
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