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Jianing Li, Ph.D.

Affiliations: 
2011 Chemistry Columbia University, New York, NY 
Area:
Computational Chemistry
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"Jianing Li"
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Richard A. Friesner grad student 2011 Columbia
 (Towards High-resolution Computational Approaches for Structure-based Drug Discovery.)

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Publications

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McCarthy DR, Xu K, Schenkelberg ME, et al. (2024) Kinetically controlled synthesis of rotaxane geometric isomers. Chemical Science. 15: 4860-4870
Thapa S, Clark F, Schneebeli ST, et al. (2023) Multiscale Simulations to Discover Self-Assembled Oligopeptides: A Benchmarking Study. Journal of Chemical Theory and Computation
McCarthy DR, Remington JM, Ferrell JB, et al. (2023) Nano-Bio Interactions between DNA Nanocages and Human Serum Albumin. Journal of Chemical Theory and Computation
Corteselli EM, Sharafi M, Hondal R, et al. (2023) Structural and functional fine mapping of cysteines in mammalian glutaredoxin reveal their differential oxidation susceptibility. Nature Communications. 14: 4550
Remington JM, McKay KT, Beckage NB, et al. (2023) GPCRLigNet: rapid screening for GPCR active ligands using machine learning. Journal of Computer-Aided Molecular Design. 37: 147-156
Murphy KE, McKay KT, Schenkelberg M, et al. (2022) Helical Molecular Springs with Varying Spring Constants. Angewandte Chemie (International Ed. in English)
McKay K, Hamilton NB, Remington JM, et al. (2022) Essential Dynamics Ensemble Docking for Structure-Based GPCR Drug Discovery. Frontiers in Molecular Biosciences. 9: 879212
Li J, Remington JM, Liao C, et al. (2022) GPCR Intracellular Loop Regulation of Beta-Arrestin-Mediated Endosomal Signaling Dynamics. Journal of Molecular Neuroscience : Mn
Remington JM, Ferrell JB, Schneebeli ST, et al. (2022) Concerted Rolling and Penetration of Peptides during Membrane Binding. Journal of Chemical Theory and Computation
Rajappan SC, Vestrheim O, Sharafi M, et al. (2021) Carbonyl-to-Alkyne Electron Donation Effects in up to 10-nm-Long, Unimolecular Oligo(-phenylene ethynylenes). Organic Materials. 3: 337-345
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