Page 5 • Lehigh University D. Suh, S. Feng, H. Lee, H. Zhang, S-J. Park, S. Kim, J. Lee, S. Choi, and W. Im, CHARMM-GUI Enhanced Sampler for Various Collective Variables and Enhanced Sampling Methods. Protein Sci. in press (2022). https:// doi.org/10.1002/pro.4446 K.W. Wang, J. Lee, H. Zhang, D. Suh, and W. Im, CHARMM-GUI Implicit Solvent Modeler for Various Generalized Born Models in Different Simulation Programs. J. Phys. Chem. B. in press (2022). https:// doi.org/10.1021/acs.jpcb.2c05294 Y. Tian, K. Shin, A.E. Aleshin, W. Im, and F.M. Marassi, Calcium-induced Environmental Adaptability of the Blood Protein Vitronectin. Biophys. J. in press (2022). https://doi.org/10.1016/j.bpj.2022.08.044 N.J. Wright, J.G. Fedor, H. Zhang, P. Jeong, Y. Suo, J. Yoo, J. Hong, W. Im, S-Y. Lee, Methotrexate Recognition by the Human Reduced Folate Carrier SLC19A1. Nature in press (2022) https://doi.org/10.1038/ s41586-022-05168-0 T. Das, X. Yang, H. Lee, E.H. Garst, E. Valencia, K. Chandran, W. Im, H.C. Hang, S-palmitoylation and Sterol Interactions Mediate Antiviral Specificity of IFITMs. ACS Chem. Biol. 17:2109–2120 (2022) H. Guterres, S-J. Park, H. Zhang, T.V. Perone, J. Kim,and W. Im, CHARMM-GUI High-Throughput Simulator for Efficient Evaluation of Protein-Ligand Interactions with Different Force Fields. Protein Sci. 31:e4413 (2022). H-K. Choi, H. Kang, C. Lee, H.G. Kim, B.P. Phillips, S. Park, C. Tumescheit, S.A. Kim, H. Lee, S-H. Roh, H. Hong, M. Steinegger, W. Im, E.A. Miller, H-J. Choi, and T-Y. Yoon, Evolutionary Balance Between Foldability and Functionality of a Glucose Transporter. Nat. Chem. Biol. 18:713-723 (2022). J. Rizo, L. Sari, Y. Qi, W. Im, and M.M. Lin, All-atom Molecular Dynamics Simulations of SynaptotagminSNARE-Complexin Complexes Bridging a Vesicle and a Flat Lipid Bilayer. eLife 11:e76356 (2022). S. Feng, S. Gee, L. Kong, and W. Im, Molecular Condensate in a Membrane: A Tugging Game Between Hydrophobicity and Polarity with Its Biological Significance. Langmuir 19:5955-5962 (2022). L. Ghani, S. Kim, H. Wang, H.S. Lee, J.S. Mortensen, S. Katsube, Y. Du, A. Sadaf, W Ahmed, B. Byrne, L. Guan, C.J. Loland, B.K. Kobilka, W. Im, and P.S. Chae, Foldable Detergents for Membrane Protein Study: Importance of Detergent Core Flexibility in Protein Stabilization. Chem. Eur. J. 28:e2022001 (2022). I.D. Pogozheva, G.A. Armstrong, L. Kong, T.J. Hartnagel, C.A. Carpino, S.E. Gee, D.M. Picarello, A.S. Rubin, J. Lee, S. Park, A.L. Lomize, and W. Im, Comparative Molecular Dynamics Simulation Studies of Realistic Eukaryotic, Prokaryotic, and Archaeal Membranes. J. Chem. Inf. Model. 62:1036-1051 (2022). C. Park, J. Kim, S-B. Ko, Y.K. Choi, H. Jeong, H. Woo, H. Kang, I. Bang, S.A. Kim, T-Y. Yoon, C. Seok, W. Im, and H-J. Choi, Structural Basis of Neuropeptide Y Signaling Through Y1 Receptor. Nat. Commun. 13:853 (2022). Y.K. Choi, N.R. Kern, S. Kim, K. Kanhaiya, S.H. Jeon, Y. Afshar, S. Jo, B.R. Brooks, J. Lee, E.B. Tadmor, H. Heinz, and W. Im, CHARMM-GUI Nanomaterial Modeler for Modeling and Simulation of Nanomaterial Systems. J. Chem. Theory Comput. 18:479-493 (2022). A. Kognole, J. Lee, S-J. Park, S. Jo, P. Chatterjee, J. Lemkul, J. Huang, A.D. MacKerell, Jr., and W. Im, CHARMM-GUI Drude Prepper for Molecular Dynamics Simulation Using the Classical Drude Polarizable Force Field. J. Comput. Chem. 43:359-375 (2022).
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