Biophysical Society 66th Annual Meeting Program Guide

926-Pos Board B67 DEVELOpmENT OF A CYTOCHROME P450 CYP3A7 QUANTITATIVE STRUC - TURE-INHIBITORY RELATIONSHIP (QSIR) MODEL TO ASSESS DRUG SAFETY IN NEONATES. Hannah M. Work , Sylvie E. Kandel, Jed N. Lampe 927-Pos Board B68 APPLYING MOLECULAR DYNAMICS TO ELUCIDATE BINDING INTERAC - TIONS FOR DEVELOPING OPIOID OVERDOSE THERAPEUTICS. Emily N. Robinson 928-Pos Board B69 BIOPHYSICAL ANALYSES OF THE HRSV NS2 PROTEIN: INSIGHTS ABOUT ITS INTERACTION WITH FLAVONOL MORIN BY SPECTROSCOPY TECH - NIQUE. Isabella O. de Lourenço , Jéssica M. de Sá, Artemiza S. Miranda, Icaro P. Caruso, Marcelo A. Fossey, Fátima P. de Souza 929-Pos Board B70 CATALYTIC FUNCTION AND SUBSTRATE SPECIFICITYOF ALPHA AND BETA CORONAVIRUS PAPAIN-LIKE PROTEASES: TARGETING HUMAN NL63, SARS-COV AND SARS-COV-2 (COVID-19) WITH DESIGNED INHIBI - TORS. Mackenzie E. Chapman , Courtney M. Daczkowski, Arun K. Ghosh, Andrew D. Mesecar 930-Pos Board B71 COMPUTATIONAL INVESTIGATION OF GLYCOSAMINOGLYCAN COFACTORS IN SARS-COV-2 INFECTION DYNAMICS. Mia A. Rosenfeld , Fiona L. Kearns, Sang Hoon Kim, Lorenzo Casalino, Micah Papanikolas, Carlos Simmerling, Rommie E. Amaro, Ronit Freeman 931-Pos Board B72 DIMETHYL SULFOXIDE (DMSO) AFFECTS ACTIVITY OF SARS-COV-2 MAIN PROTEASE. Marquise G. Crosby , Gemma R. Takahashi, Rachel W. Martin, Elizabeth Diessner, Brenna Norton-Baker, Carter T. Butts 932-Pos Board B73 PROBING KEY INTERACTIONS BETWEEN SARS-COV-2 SPIKE AND HEPA - RAN SULFATE. Fiona L. Kearns , Mia Rosenfeld, Sang Hoon Kim, Lorenzo Casalino, Micah Papanikolas, Carlos Simmerling, Ronit Freeman, Rommie Board B74 DEVELOPING INHIBITORS OF THE SARS-COV-2 MAIN PROTEASE. Christian Seitz , Vedran Markota, Terra Sztain-Pedone, Morgan Esler, Arad Mogha - dasi, Samantha Kennelly, Ozlem Demir, Hideki Aihara, Daniel A. Harki, Reuben Harris, J. AndrewMcCammon, Rommie E. Amaro Membrane Protein Dynamics I (Boards B75 - B91) 934-Pos Board B75 FUNCTIONAL DYNAMICS OF G-PROTEIN-COUPLED RECEPTOR SHOWN BY FEMTOSECOND X-RAY SCATTERING. Michael F. Brown , Thomas D. Grant, Suchithranga M.D.C. Perera, Leslie Salas-Estrada, Andrey V. Struts, Kon - stantinos Karpos, Udeep Chawla, Steven D.E. Fried, C. Swathi K. Menon, Nipuna Weerasinghe, Domingo Meza, Derek Mendez, Alan Grossfield, Petra Fromme, Richard A. Kirian 935-Pos Board B76 QUANTUMMECHANICAL AND MOLECULAR DYNAMICS SIMULATIONS OF RETINAL SYSTEMS UTILIZING NOVEL ARTIFICIAL-INTELLIGENCE-DERIVED FORCE FIELDS. Andrew Erly , Nathan Kuo, Jade Kuan, Fathima T. Doole, Dmitrii M. Nikolaev, Mikhail N. Ryazantsev, Andrey V. Struts, Michael F. Brown 936-Pos Board B77 MECHANISTIC UNDERSTANDING OF CANNABINOID RECEPTORS' ACTIVA - TION TO DECIPHER LIGAND SELECTIVITY. Soumajit Dutta , Diwakar Shukla E. Amaro 933-Pos

914-Pos Board B55 COMPUTATIONAL STUDY OF NANOPARTICLE-INDUCED ENDOTHELIAL LEAKINESS. Myeongsang Lee , Huayuan Tang, Feng Ding 915-Pos Board B56 THE SUPPRESSING ROLE OF NITRIC OXIDE IN THE FERROPTOTIC CELL DEATH SIGNAL TRANSDUCTION. Karolina Mikulska-Ruminska , Tamil S. Anthonymuthu, Anastasia Levkina, Indira Shrivastava, Oleksandr Kapralov, Hülya Bayır, Ivet Bahar, Valerie E. Kagan 916-Pos Board B57 PROTECTING THE CELL MEBRANE AGAINST PORE FORMING AGENTS VIA A BRAIN-PERMEABLE AMINOSTEROL. Aidan K. Wright , Ryan P. Kreiser, Liam R. Sasser, Lam T. Nguyen, Ryan Limbocker 917-Pos Board B58 SMALL MOLECULE AND ANTIBODY MEDIATED INHIBITION OF THE AGGREGATION OF A TAU FRAGMENT IMPLICIT IN ALZHEIMER'S DIS - EASE. Tristan L. McKenzie , Ryan P. Kreiser, Ryan A. Limbocker, Dillon J. Rinauro, Michele Vendruscolo 918-Pos Board B59 CHARACTERIZATION OF HUMAN SULFOTRANSFERASE 1A1 (SULT1A1) AS A NEW TARGET FOR STRUCTURE-BASED DESIGN OF DRUGS TO TREAT CANCER. Samadhi C. Kulathunga , Qing Zhou, Nicolás M. Morato, R. Gra - ham Cooks, Andrew D. Mesecar 919-Pos Board B60 BIS-COUMARIN HOMODIMERS - POTENTIAL INHIBITORS OF AMY - LOID AGGREGATION OF GLOBULAR AND INTRINSICALLY DISORDERED PROTEINS[P1]. Barbora Spodniaková , Paweł Krupa, Zuzana Bednarikova, Miroslav Gancar, Andrea Antošová, Slavka Hamulakova, Mai S. Li, Zuzana Gazova 920-Pos Board B61 POTENTIAL MECHANISMS OF SEVERAL PROMISING SMALL MOLECULES DISRUPTING FIBRILLAR OLIGOMER OF TAU FRAGMENTS REVEALED BY MOLECULAR DYNAMICS SIMULATION. Zhenyu Qian , Lili Zhu, Hao Lju, Gongwu Sun 921-Pos Board B62 OPTIMIZATION OF HYDRATION SITES IN PLANT HORMONE RECEPTORS FOR AGROCHEMICAL DESIGN. Chuankai Zhao, Diego E. Kleiman , Diwakar Shukla 922-Pos Board B63 THERAPEUTIC DRUG TARGETING IN ALZHEIMER'S DISEASE. Ryan Geiser , Michele Sanguanini, Roxine Staats, Dillon Rinauro, Michael Metrick, Prashanth Ciryam, Sam Casford, Emily Zhao, Jane Fleming, Sally Hunter, Carol Brayne, Michele Vendruscolo 923-Pos Board B64 CHARACTERIZING THE INTERACTION OF THE CONSENSUS SHORT-CHAIN NEUROTOXIN, SCNTX, WITH NICOTINIC ACETYLCHOLINE RECEPTORS. Aujan Mehregan , Mieke Nys, Marijke Brams, Kumiko Kambara, Daniel Bertrand, Chris Ulens 924-Pos Board B65 INVESTIGATING THE ROLE OF L-ASPARAGINASE AS A POTENTIAL THERA - PEUTIC TARGET AGAINST GONORRHEA INFECTIONS. Shubham Vashishtha , Bishwajit Kundu 925-Pos Board B66 SPECIFIC CELLULAR LABELING OF A CLINICALLY IMPORTANT ESTROGEN RECEPTOR ALPHA MUTANT, Y537S, WITH AN AFFIMER. Pin Ren , Christian Tiede, Sean W. Fanning, Thomas Adams, Valerie Speirs, Erik R. Nelson, Geoffrey L. Greene, Darren C. Tomlinson, Paul R. Selvin

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