BPS2025 Full Program

1022-Pos Board B29 CASTPFOLD: COMPUTED ATLAS OF SURFACE TOPOGRAPHY OF THE UNIVERSE OF PROTEIN FOLDS. Bowei Ye , Jie Liang 1023-Pos Board B30 STRUCTURAL NETWORK COMPARISON OF DOMAINS ACROSS REMOTE HOMOLOGS. Sidhanta Swayam Prakash Das , Vasam Manjveekar Pra bantu, Ramanathan Sowdhamini, Narayanaswamy Srinivasan 1024-Pos Board B31 PPINTERFACE: A COMPREHENSIVE DATASET OF 3D PROTEIN-PROTEIN INTERFACE STRUCTURES FOR DRUG REPURPOSING. Zeynep Abali, Moaaz Khokhar, Yigit Can Ates, Zeynep Aydin, Attila Gursoy, Ozlem Z. Keskin 1025-Pos Board B32 A PRIMORDIAL ACIDIC AMINO ACID ALPHABET PLAUSIBLY SERVED AS A STEPPING STONE TO FOLDABLE POLYMERS: A COMPUTATIONAL STUDY. Soumya Dutta , Mikhail Makarov, Robin Krystufek, Edgar Man riquez-Sandoval, Stephen D. Fried, Klara Hlouchova, Abhishek Singharoy Protein Structure, Prediction, and Design I (Boards B33 - B51) 1026-Pos Board B33 DECODING FMRP DOMAIN FUNCTIONS: TOWARDS TARGETED THERA PEUTIC STRATEGIES IN FRAGILE X SYNDROME. Alice Romagnoli , Gloria Venturini, Agnese Roscioni, Nunzio Perta, Jesmina Rexha, Daniele Di Marino 1027-Pos Board B34 Travel Award Winner PREDICTED FUNCTIONALITY OF DESIGNED NEURAMINIC ACID SENSING CHIMERIC PROTEINS. Agustina Bacelo 1028-Pos Board B35 ENGINEERING OF ZINC FINGER NUCLEASES THROUGH STRUCTURAL MODELING IMPROVES GENOME EDITING EFFICIENCY IN CELLS. Masahiro Watanabe 1029-Pos Board B36 ENGINEERING THE INNER CORE OF THE HUMAN PYRUVATE DEHY DROGENASE COMPLEX FOR DISPLAYING SMALL THERAPEUTIC PRO TEINS. Roman Aguirre , Bodhi M. Milano, Hong Zhou 1030-Pos Board B37 ELUCIDATING RECEPTOR LIGAND INTERACTION BETWEEN TAU AND LRP1. Harry Li 1031-Pos Board B38 SYSTEMATIC COARSE GRAINING AND BACK MAPPING OF PROTEINS. Yu Zhu , Xiaochuan Zhao, Jacob M. Remington, Jianing Li 1032-Pos Board B39 INVESTIGATING DRUG DELIVERY METHOD ACROSS THE BLOOD-BRAIN BARRIER: AN IN SILICO APPROACH OF PEPTIDE DESIGN AND SMALL MOLECULE DRUG DISCOVERY. Tzuling Lin 1033-Pos Board B40 ENHANCING ANTIBODY DESIGN USING RFDIFFUSION AND PRO TEINMPNN FOR NOVEL INTRABODY GENERATION. Kimberly Robins 1034-Pos Board B41 DESIGN AND APPLICATION OF GENETICALLY ENCODED EM-VISIBLE TAG FOR IN SITU CRYOET. Feng Luo , Qiangjun Zhou 1035-Pos Board B42 DETERMINATION OF TRAK’S OLIGOMERIZATION STATE WITHIN THE PCU1 RELAXOSOME USING ATOMIC FORCE MICROSCOPY. Lynn Mendez , Zachary J. Donhauser

1036-Pos Board B43 STRUCTURAL MODELING AND SELECTIVE LIGAND DESIGN FOR TAS2R10 TO UNVEIL THERAPEUTIC TARGETS. Gaoyuan Liu , Soo-Kyung Kim, Judith Su, Stephen Liggett, William A. Goddard 1037-Pos Board B44 DESIGN OF PEPTIDE INHIBITORS FOR PROTEIN-PROTEIN INTERACTIONS INVOLVING IDPS. Shunji Suetaka , Nao Sato, Shinya Inoue, Munehito Arai 1038-Pos Board B45 GENERATING STRUCTURE-INFORMED LANDSCAPES FROM PROTEIN LANGUAGE MODEL EMBEDDINGS: A NOVEL APPROACH FOR EXPLOR ING PROTEIN FAMILY RELATIONSHIPS. Divyanshu Shukla 1039-Pos Board B46 RESPIRATORY SYNCYTIAL VIRUS INFECTIONS ARE CAUSED BY RSV NU CLEOPROTEIN MUTATIONS. Muhammad Yasir, Saba Shahzadi , Wanjoo Chun, Andrzej Kloczkowski, Mubasher Hassan 1040-Pos Board B47 DEVELOPMENT OF A STRUCTURE MORPHING METHOD FOR BIOMOL ECULES USING MD SIMULATIONS AND DEEP NEURAL NETWORK. Naoyuki Miyashita , Shota Shimogochi, Yuma Shiota, Yoshihiro Kashi yama 1041-Pos Board B48 HOW Α-PARVALBUMIN MUTATIONS IMPACT CALCIUM-BINDING AFFIN ITY IN THE PRESENCE AND ABSENCE OF ITS AB-DOMAIN. Alec G. Loftus , Peter Kekenes-Huskey 1042-Pos Board B49 DEEPFOLD 2: ACCELERATING PROTEIN STRUCTURE PREDICTION WITH OPTIMIZED HOMOLOG DETECTION AND PROTEIN LANGUAGE MOD ELS. Minsoo Kim , Hanjin Bae, Gyeongpil Jo, Kunwoo Kim, Jejoong Yoo, Keehyoung Joo 1043-Pos Board B50 SEARCHING FOR PROTON TRANSFER CHANNELS IN RESPIRATORY COMPLEX I. Panyue Wang , Stanislav S. Moroz, Jackson Demaray, Alexei A. Stuchebrukhov 1044-Pos Board B51 USING ALPHAFOLD AT SCALE TO PREDICT THE LEGUME SYMBIOTIC INTERACTOMES. Jay R. Unruh Protein-Small Molecule Interactions I (Boards B52 - B83) 1045-Pos Board B52 UNDERSTANDING THE MOLECULAR MECHANISM OF VENEZUELAN EQUINE ENCEPHALITIS VIRUS INHIBITION. Christopher Lockhart , Bryan M. Delfing, Xavier E. Laracuente, Audrey Olson, Xingyu Luo, William Jeffries, Kenneth W. Foreman, Greg Petruncio, Kyung Hyeon Lee, Mikell Paige, Kylene Kehn-Hall, Dmitri K. Klimov 1046-Pos Board B53 DEVELOPMENT OF A SMALL MOLECULE PAN-SEROTYPE FLAVIVIRUS ANTIVIRAL DRUG. Charles Ferrante, Johnathan R. Pinc, Robert W. Kubiak II, Victor Jaffett, Lucas Fallot 1047-Pos Board B54 UNRAVELLING THE MOLECULAR MECHANISM OF QUINOLONE INHIBI TION OF BACTERIAL TYPE II TOPOISOMERASE WITH SINGLE-MOLECULE MAGNETIC TWEEZERS. Ian L. Morgan , Keir C. Neuman 1048-Pos Board B55 NLRP3’S GLYCOSYLASE ACTIVITY AND DRUG INHIBITION: TARGETING OXIDIZED MITOCHONDRIAL DNA IN INFLAMMASOME ACTIVATION. An gela Lackner, Julia E. Cabral, Reginald McNulty

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