BPS2026 Program Book

Protein Dynamics and Allostery I (Boards B53 - B73) 241-Pos Board B53 UNCOVERING THE DYNAMICS RESPONSIBLE FOR INCREASED ANTIBODY AFFINITY VIA MD SIMULATIONS. Shahlo Solieva , Gregory Bowman 242-Pos Board B54 COMPREHENSIVE EPISTASIS MAPPING ACROSS A PROTEIN FAMILY WITH DIVERGING FUNCTIONS. Bryan Andrews , Rama Ranganathan 243-Pos Board B55 Travel Award Winner DIAMOND-BLACKFAN ANEMIA-ASSOCIATED MUTATIONS IN RIBOSOMAL PROTEIN UL18 ALTER ITS N- AND C-TERMINAL STRUCTURAL DYNAM ICS. Divya Sapkota , Anuradha Rai Chowdhury, Dylan Girodat 244-Pos Board B56 A COMPREHENSIVE DEEP COUPLING SCAN IN A PDZ DOMAIN. Steven Wasserman , Bryan Andrews, Rama Ranganathan 245-Pos Board B57 BIOPHYSICAL PRINCIPLES FOR EXPANDING PAM COMPATIBILITY IN CRISPR-CAS9 VARIANTS. Chinmai Pindi , Francisco Vieyra, George P. Lisi, Uriel Morzan, Giulia Palermo 246-Pos Board B58 INTERROGATING T-CELL RECEPTOR INTERACTIONS WITH PEPTIDE-MHC THROUGH STRUCTURE-GUIDED MUTATIONAL ANALYSIS. Anshika H. Motiani , Nan Wang, Christopher Garcia 247-Pos Board B59 Travel Award Winner MOLECULAR DYNAMICS CHARACTERIZATION OF THE ALLOSTERIC PATH WAYS FOR EXPOSURE OF THE FOUR-HELIX BUNDLE OF MLKL. Ricardo X. Ramirez , Viviana Monje 248-Pos Board B60 LONG-RANGE ALLOSTERIC COMMUNICATION IN SARS-COV-2 SPIKE PROTEIN. Alexandra Lucas, Krishna Mallela 249-Pos Board B61 MOLECULAR SIMULATIONS OF CHEA CONFORMATIONAL DYNAMICS AND ATP-BINDING IN BACTERIAL CHEMOTAXIS. John Miles , Keith Cas sidy 250-Pos Board B62 REVEALING INTERPLAY BETWEEN ALLOSTERY AND THERAPEUTIC RESPONSE IN ESTROGEN RECEPTOR-TARGETED THERAPIES. Emma Fink , Peter Kekenes-Huskey, Sean Fanning 251-Pos Board B63 ON THE PERIPHERAL SURFACE INFORMATION ENTROPY OF GLOBULAR PROTEIN-PEPTIDE COMPLEXES. Tyler J. Grear , Donald J. Jacobs 252-Pos Board B64 Travel Award Winner ELUCIDATING PARKIN’S MECHANISM OF ACTIVATION VIA INTEGRA TIVE COMPUTATIONAL TOOLS. Carlos U. Herrada , Kesaban Sankar Roy Choudhuri, Vanessa Leone 253-Pos Board B65 ALLOSTERIC MECHANISMS OF THE AAA+ ATPASE VCP/P97 DURING NUCLEOTIDE AND SUBSTRATE BINDING. Martin Kulke , Ernest Hamzagic, Smruti R. Rout, Maxim Droemer, Vasileios Xanthis, Eri Sakata, Anne K. Schuetz, Martin Zacharias 254-Pos Board B66 MODELING RELATIONSHIPS IN MULTI-PHENOTYPE DEEP MUTATIONAL SCANNING USING GRAPH THEORY AND ENSEMBLE VIEW. Jingyou Rao , Mingsen Wang, Matthew Howard, Ever O’Donnell, Willow Coyote Maestas, Harold Pimentel

255-Pos Board B67 TIME-RESOLVED X-RAY SCATTERING EXPLORES ULTRAFAST STRUCTURAL CHANGES OF VISUAL RHODOPSIN. C. Swathi K. Menon, Thomas D. Grant, Suchithranga M.D.C. Perera, Leslie A. Salas-Estrada, Andrey V. Struts, Konstantinos K. Karpos, Udeep Chawla, Steven D.E. Fried, Nipuna Weerasinghe, Domingo Meza, Derek Mendez, Alan Grossfield, Petra Fromme, Richard A. Kirian, Michael F. Brown 256-Pos Board B68 COMPARING DOMAIN-DOMAIN COUPLED MOTIONS IN BHLH-PAS TRANSCRIPTION FACTOR COMPLEXES. Karthik Sudarsanam, Ashutosh Srivastava, Sandhya P. Tiwari 257-Pos Board B69 DESIGN & CHARACTERIZATION OF DE NOVO PEPTIDE INHIBITORS AGAINST AN EBOLA VP35 IID CRYPTIC POCKET. Mark B. Bray , Prajna Mishra, Shahlo Solieva, Devin Kelly, Claire H. Woodward, Jonah Park, Gregory Bowman 258-Pos Board B70 PROBING PROTEIN ENERGY LANDSCAPES IN HIGH THROUGHPUT. Eva Gerber , Miriam Hood, Susan Marqusee 259-Pos Board B71 PHYSICS INTEGRATED MACHINE LEARNING MODELS UNCOVER PRINCIPLES OF ALLOSTERIC REGULATION IN DIVERSE FUNCTIONAL OUTCOMES. Ngoc Huynh , I. Can (John) Kazan, Jin Lu, Bethany Kolbaba Kartchner, Jeremy H. Mills, S. Banu Ozkan 260-Pos Board B72 ALLOSTERIC ACTIVATION IN MULTI-DOMAIN PROTEINS EXPLORED BY MULTISCALE SIMULATIONS: THE CASE OF PHOSPHATASE SHP2. Paolo Calligari , Federica Allegrini, Isabella Romeo, Mattia Carvetta, Lorenzo Stella, Gianfranco Bocchinfuso 261-Pos Board B73 CLPA AND CLPAP CATALYZED UNFOLDING AND TRANSLOCATION ARE DIFFERENTIALLY COUPLED TO ATP BINDING. Liana Islam , Jaskamaljot Kaur Banwait, Aaron L. Lucius Membrane Protein Folding (Boards B74 - B80) 262-Pos Board B74 DECODING THE MOLECULAR BASIS OF MEMBRANE PROTEIN BIOGENE SIS. Noah F. Greenwald , Matthew Howard, Jingyou Rao, Catherine Shin, Christian B. Macdonald, Patrick Rockefeller Grimes, Kathleen Giacomini, Willow Coyote-Maestas 263-Pos Board B75 REACTION COORDINATE OF PH-DEPENDENT PEPTIDE PORE FORMA TION. Ana-Nicoleta Bondar , Kalina Hristova, William C. Wimley 264-Pos Board B76 Travel Award Winner TRACKING THE CONFORMATIONAL CHANGES THAT DRIVE TYPE-1 VIRAL MEMBRANE FUSION. Ilona C. Unarta , Sarah M. Crotzer, Sandrasegaram Gnanakaran 265-Pos Board B77 ELECTROSTATICS WITHIN THE BAMA LUMEN INFLUENCE OMP FOLD ING. Daniel Birtles , Neil Ranson, Sheena E. Radford 266-Pos Board B78 A STRATEGY TO TRAP THE DENATURED STATE OF A HELICAL-BUNDLE MEMBRANE PROTEIN IN LIPID BILAYERS. Saba Kanwal , Michael Bridges, Manoj Rana, Miyeon Kim, Wayne L. Hubbell, Heedeok Hong 267-Pos Board B79 Travel Award Winner RAPFOLD: RELATIVE ACCESSIBILITY-ENHANCED PREDICTOR FOR MEM BRANE PROTEIN STRUCTURES. Kai Kang , Chen Song

F R I D A Y

S U N D A Y

28