Faculty News During the past year, Muhammad Bilal Zarafullah joined Professor Landskron's research group as a graduate student. He is working in the lab on improving porous carbon materials for supercapacitive swing adsorption for carbon capture. Graduate student Jiajie Li continued her research studying the influence of carbon dioxide partial pressure on supercapacitive swing adsorption for carbon capture. Graduate student Jacob Dooley Kai Landskron continued to construct his lab for ammonothermal cubic boron nitride crystal growth (collaboration with Siddha Pimputkar). Research Fellow Dr. David Roberts worked on crystalline, covalent ferrocenic, frameworks (collaboration with Lisa Fredin and Liz Young). Research Fellow Dr. Guido Pez constructed a fuel cell system for the electrocatalytic dehydrogenation of perhydrodibenzyltoluene. Professor Landskron wrote a textbook "Inorganic Coordination Chemistry" published on the Libretext platform. It is available for free to Lehigh students, and students worldwide. He co-founded Energy 18H, a benefit LLC that aims at the development and commercialization of direct fuel cells that dehydrogenate perhydrodibenzyltoluene for safe, CO2 emission-free power generation. Y. Gao, Y.; J. Lee, J.; I.P.S. Smith, I.P.S.; H. Lee, H.; S. Kim, S.; Y. Qi, Y.; J.B. Klauda, J.B.; G. Widmalm, G.; S. Khalid,S. and W. Im, W. "CHARMM-GUI Supports Hydrogen Mass Repartitioning and Different Protonation States of Phosphates in Lipopolysaccharides" J. Chem. Inf. Model. 2021, 61, 831-839. Cao, Y.; Park, S-J and W. Im, W. "A Systematic Analysis of Protein-Carbohydrate Interactions in the Protein Data Bank" Glycobiology 2021, 31, 126-136. Kanhaiya, K.; Kim, S.; Im, W. and Heinz, H. "Accurate Simulation of Surfaces and Interfaces of Ten FCC Metals and Steel Using Lennard-Jones Potentials" Npj Comput. Mater 2021, 7, 17 Guterres, H.; Park, S-J; Jiang, W. and Im, W. "Ligand-Binding-Site Refinement to Generate Reliable Holo Protein Structure Conformations from Apo Structures" J. Chem. Inf. Model. 2021, 61, 535-546. Ramesh, S.; Park, S.; Call, M.J.; Im, W. and Call, M.E. "Experimentally Guided Computational Methods Yield Highly Accurate Insights into Transmembrane Interactions within the T Cell Receptor Complex" J. Phys. Chem. B. 2020, 124, 10303-10310. Kim, S.; Oshima, H.; Zhang, H.; Kern, N.R.; Re, S.; Lee, J.; Roux, B.; Sugita, Y.; Jiang, W. and Im, W. "CHARMM-GUI Free Energy Calculator for Absolute and Relative Ligand Solvation and Binding Free Energy Simulations" J. Chem. Theory Comput. 2020, 16, 7207-7218. c lt s Wonpil Im (Continued) Shin, K.; Kent, J.E.; Singh, C.; Fujimoto, L.M.; Tian, Y.; Im, W. and Marassi, F.M. "Calcium and Hydroxyapatite Binding Properties of Human Vitronectin Provide New Insights for Abnormal Deposit Formation" Proc. Natl. Acad. Sci. USA 2020, 117, 18504-18510. Ryzhov, P.; Tian, Y.; Yao, Y.; Bobkov, A.A.; Im, W. and Marassi, F.M. "Conformational States of the Cytoprotective Protein BclxL" Biophys. J. 2020, 119, 1324-1334. Lee, J.; Hitzenberger, M.; Rieger, M.; Kern, N.R.; Zacharias, M. and Im, W. "CHARMM-GUI Supports the Amber Force Fields" J. Chem. Phys. 2020, 153, 035103. Woo, H.; Park, S-J; Choi, Y.K.; Park, T.; Tanveer, M.; Cao, Y.; Kern, N.R.; Lee, J.; Yeom, M.S.; Croll, T.L.; Seok, C. and Im, W. "Developing a Fully-glycosylated Full-length SARS-CoV-2 Spike Protein Model in a Viral Membrane" J. Phys. Chem. B. 2020,124, 7128–7137 . [cover] Gao, Y.; Lee, J.; Widmalm, G. and Im, W. "Modeling and Simulation of Bacterial Outer Membranes with Lipopolysaccharides and Enterobacterial Common Antigen" J. Phys. Chem. B. 2020, 124, 5948-5956. Page 10 · Lehigh University
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