Biophysical Society 67th Annual Meeting Program Guide

913-pos Board B42 HYBRID ENHANCED SAMPLING APPROACHES TO GAIN STRUCTURAL INSIGHTS INTO LEUCINE-RICH REPEAT KINASE 2 (LRRK2) PARKINSON’S DISEASE MUTATION. Anupam A. Ojha , Rommie E. Amaro 914-pos Board B43 MOLECULAR DYNAMICS STUDY OF THE MECHANISM OF THE CLIENT UNFOLDED PROTEIN DELIVERY FROM HSP40 TO HSP70. Lisa Matsukura, Naoyuki Miyashita 915-pos Board B44 MOLECULAR MODELS OF HEME TRANSFER IN C. DIPHTHERIAE. Kade Cheatham , Jeffery M. Wereszczynski 916-pos Board B45 DYNAMIC CONFORMATIONAL SWITCHING UNDERLIES TFIIH FUNCTION IN TRANSCRIPTION AND DNA REPAIR AND IMPACTS GENETIC DISEAS ES. Jina Yu 917-pos Board B46 MOLECULAR DYNAMICS STUDY OF MEIG1 INTERACTIONS WITH PACRG. Timothy Hasse , Zhibing Zhang, Yu-ming Huang 918-pos Board B47 ELUCIDATING THE ROLE OF FURIN CLEAVAGE IN SARS COV-2 SPIKE AL LOSTERY USING MOLECULAR DYNAMICS SIMULATIONS. Natesan Mani , Raghavendran Suresh, Srirupa Chakraborty 919-pos Board B48 TIMELINE OF CHANGES IN SPIKE CONFORMATIONAL DYNAMICS IN EMERGENT SARS-COV-2 VARIANTS REVEAL PROGRESSIVE STABILIZATION OF TRIMER STALK AND ENHANCED NTD DYNAMICS. Ganesh S. Anand , Sean Braet, Theresa Buckley, Varun Venkatakrishnan, Kim-Marie Dam, Pamela J. Bjorkman 920-pos Board B49 MULTI-STATE DIMERIZATION OF THE EFFECTOR DOMAIN MAY REGULATE THE ASSEMBLY OF NON-STRUCTURAL PROTEIN 1 FROM THE INFLUENZA A VIRUS. James E. Gonzales , Jae-Hyun Cho, Wonmuk Hwang 921-pos Board B50 MESOSCALE SIMULATIONS ILLUMINATE THE FUNCTIONAL INTERPLAY AND THE VULNERABILITIES OF INFLUENZA VIRUS GLYCOPROTEINS. Lo renzo Casalino , Christian Seitz, Julia Lederhofer, Yaroslav Tsybovsky, Ian A. Wilson, Masaru Kanekiyo, Rommie E. Amaro 922-pos Board B51 EXAMINING HIV-1 ENVELOPE CONFORMATIONAL TRANSITIONS AT HIGH TEMPORAL RESOLUTION. Ashley L. Bennett , Carrie Saunders, Yishak Bililign, Ashliegh Williams, Maya Montani, Priyamvada Acharya, Barton Haynes, Rory C. Henderson 923-pos Board B52 ILLUSTRATING THE CORRELATIONS BETWEEN PROTEIN DYNAMICS AND GLYCAN SHIELDING OF HIV-1 ENV GP160. Raghavendran Suresh , Natesan Mani, Srirupa Chakraborty 924-pos Board B53 LIGAND-DEPENDENT CONFORMATIONAL DYNAMICS OF MPER-BINDING HIV-1 ANTIBODY FAB235. Yue Qiu , Kemin Tan, Ellis L. Reinherz, Mikyung Kim, Wonmuk Hwang 925-pos Board B54 EXACT REACTION COORDINATES FOR FUNCTIONAL PROTEIN DYNAMICS: FLAP OPENING IN HIV-1 PROTEASE. Huiyu Li 926-pos Board B55 EXPLORING THE CONFORMATIONAL LANDSCAPE OF THE RABIES VIRUS GLYCOPROTEIN USING HDX-MS. Sophie R. Shoemaker , Tina X. Li, Wesley Wu, John E. Pak, Susan Marqusee

899-pos Board B28 IMPROVING THE CHARMM36M FORCE FIELD FOR ARGININE-PHOSPHATE INTERACTIONS. Jiyeon Min , Madolyn Britt, Sergei I. Sukharev, Bernard R. Brooks, Jeffery B. Klauda 900-pos Board B29 REGIOSELECTIVITY OF THE THUNBERGIA ALATA Δ 6 -16:0-ACYL CARRIER PROTEIN DESATURASE BY MOLECULAR DYNAMICS. Marcel D. Baer , Sim one Raugei, John Shanklin 901-pos Board B30 MOLECULAR INSIGHTS INTO ANTI-MYCOBACTERIAL COMPOUNDS TAR GETING MMPL3. Lixinhao Yang , Helen I. Zgurskaya, Mary Jackson, Jeffrey North, James C. Gumbart 902-pos Board B31 FAST ADP RELEASE IN F1-ATPASE. Sandor Volkan-Kacso , Rudolph Marcus, Luan Q. Le, Nathan Suiter 903-pos Board B32 IN-SILICO INSIGHTS INTO AMINOGLYCOSIDE INTAKE BY TMC1. Harsha Mandayam Bharathi , Wei-Hsiang Weng, Marcos M. Sotomayor 904-pos Board B33 MOLECULAR DETERMINANTS OF ANTAGONIST INTERACTIONS WITH CHEMOKINE RECEPTORS CCR2 AND CCR5. John R.D. Dawson , Irina Board B34 SIMULATIONS REVEAL THE ROLE OF GLUCOSE-6-PHOSPHATASE MUTA TIONS IN GLYCOGEN STORAGE DISEASE. Matt Sinclair , Jonathan Sheehan, Richard A. Stein, Derek P. Claxton, Emad Tajkhorshid 906-pos Board B35 DEVELOPMENT OF NOVEL HBV CAPSID ASSEMBLY MODIFIERS THROUGH MOLECULAR DYNAMICS, DOCKING, AND EXPERIMENTS. Zixing Fan , Anna Pavlova, Matthew Jenkins, Maksym D. Korablyov, M.G. Finn, James C. Board B36 REGULATION OF LRRK2 DYNAMICS AND CONFORMATION STATES BY SMALL MOLECULES. Jui-Hung Weng Protein Dynamics and Allostery II (Boards B37 - B66) 908-pos Board B37 Travel Award Winner EXPLORING THE MECHANISM OF THE BACTERIOPHAGE T7 SINGLE STRANDED DNA BINDING PROTEIN GP2.5. Shikai Jin , Yang Gao, Peter G. Board B38 REGULATION OF THE FUNGAL FATTY ACID SYNTHASE THROUGH CON FORMATIONAL SELECTION. Florian Leidner , Helmut Grubmuller 910-pos Board B39 ATOMISTIC BASIS FOR THE DIFFERENTIAL LOAD RESPONSE BY THE ΓΔ AND THE CHIMERIC VΓΔ-CΑΒ T-CELL RECEPTORS. Sofiya B. Bettencourt , Robert J. Mallis, Matthew J. Lang, Ellis L. Reinherz, Wonmuk Hwang 911-pos Board B40 DYNAMIC MECHANISM FOR THE LIGAND DISCRIMINATION BY ΑΒ T-CELL RECEPTOR ENHANCED BY MECHANICAL LOAD. Ana C. Chang-Gonzalez , Robert J. Mallis, Matthew J. Lang, Ellis L. Reinherz, Wonmuk Hwang 912-pos Board B41 WHEN THE TCR’S ENGAGED, THE CD3 EPSILONS WILL PLAY: A DYNAMIC T CELL RECEPTOR (TCR) TRIGGERING MECHANISM. Floris J. van Eerden , Aa laa Alrahman Sherif, Mara Anais Llamas-Covarrubias, Daron M. Standley Kufareva 905-pos Gumbart 907-pos Wolynes 909-pos

M O N D A Y

73