BPS2026 Program Book

L2801-Pos Board LB94 COMPUTATIONAL STUDIES OF TARGET-SPECIFIC RADIOPHARMACEUTI CALS FOR CANCER DIAGNOSTICS AND THERAPY. Giuliano Malloci , Silvia Gervasoni, Camilla Guccione L2802 -Pos Board LB95 MDFF-BASED STRUCTURAL MODELING OF APOA1 IN NATIVE HDL FROM CRYO-EM DENSITY. Hyun Song , Bethany Coleman, Jere P. Segrest, W. S. Davidson L2803-Pos Board LB96 COMPARATIVE ANALYSIS OF PROTEIN CONFORMATIONAL LANDSCAPES FROM ENSEMBLE-SKETCH-GUIDED METADYNAMICS. David Kwabi-Addo , Bowen Jing, Bonnie Berger L2804-Pos Board LB97 REFINEMENT OF THE AMBER FORCE FIELD FOR RNA: IMPROVING THE DESCRIPTION OF NONBONDED INTERACTIONS. Anees Mohammed Keedakkatt Puthenpeedikakkal , David H. Mathews, Chapin E. Cavender Computational Methods and Machine Learning, Artificial Intelligence, and Bioinformatics (Boards LB98 - LB115) L2805-Pos Board LB98 UNIVERSAL PREDICTION OF RNA MODIFICATIONS ACROSS MAMMALS USING HIERARCHICAL MULTI-MER TRANSFORMERS. Duong Thanh Tran , Balachandran Manavalan L2806 -Pos Board LB99 ZOONOPRO: AN INTERPRETABLE HIERARCHICAL MULTI-INSTANCE DEEP LEARNING FRAMEWORK FOR ZOONOTIC POTENTIAL IDENTIFICA TION AND PRIORITIZATION. Nguyen Doan Hieu Nguyen , Balachandran Board LB100 TOWARDS THE RATIONAL DESIGN OF MOLECULAR GLUES: QUANTIFY ING COOPERATIVITY THROUGH FREE ENERGY CALCULATIONS. Balint Dudas , Christina Athanasiou, Juan Carlos Mobarec, Bernard R. Brooks, Board LB101 GLOBAL PROPAGATION OF GENETIC PERTURBATION EFFECTS THROUGH GENOME-WIDE STOICHIOMETRY CONSERVATION ARCHITECTURE. Genta Chiba , Ken-ichiro F. Kamei, Arisa H. Oda, Kunihiro Ohta, Yuichi Board LB102 LEVERAGING PARTICLE DENOISING AND HIGH-ORDER IMPLICIT NEURAL REPRESENTATIONS FOR CRYO-EM HETEROGENEOUS RECONSTRUC TION. Jiahua He , Yifan Cheng L2810-Pos Board LB103 BENCHMARKING ACTIVE LEARNING VIRTUAL SCREENING AT TRANS MEMBRANE BINDING SITE OF PIEZO2 CHANNEL. Joseph Chung , Aashish Bhatt, YiChun Lin, Mingtian Zhao, Aneesh Chandrasekharan, Tharaka D. Wijerathne, Jerome J. Lacroix, Alexander D. MacKerell, Sunhwan Jo, Yun Lyna Luo L2811-Pos Board LB104 A STRUCTURE-DERIVED ACTIVATION INDEX FOR CLASS-A GPCRS. Santeri Paajanen , Felix Eurasto, Ksenia Korshunova, Waldemar Kulig, Shreyas Kaptan, Ilpo Vattulainen Manavalan L2807 -Pos Edina Rosta L2808 -Pos Wakamoto L2809-Pos

L2812-Pos Board LB105 MODELING BULK BEHAVIOR IN MACHINE LEARNED INTERATOMIC POTENTIAL USING ISOTROPIC PERIODIC SUM. Samarjeet Samarjeet , Bernard Brooks L2813-Pos Board LB106 GRAPH NEURAL NETWORK-BASED PREDICTION OF RECEPTOR INTERAC TION KINETICS. Khai Nguyen L2814-Pos Board LB107 MODELING F1-ATPASE ROTATIONAL DYNAMICS THROUGH COMPUTA TIONAL SIMULATION. Robert A. Fenn L2815-Pos Board LB108 MESOSCALE MODELLING OF MOLECULAR MOTORS. Sarah A. Harris , Robert Chisholm, Ryan Cocking, Ben Hanson, Oliver Harlen, Wen Ma, Daniel Read, Renee Taylor, Robert Welch L2816-Pos Board LB109 EVIDENTIAL DEEP-LEARNING FOR DRUG DISCOVERY AT PROTEIN-MEM BRANE INTERFACE. Ivan Revilla , Alexis Hernandez, Aashish Bhatt, Jacob Levine, Sai Kosaraju, Yun Lyna Luo L2817-Pos Board LB110 PDBCLEANV2: A PYTHON PACKAGE FOR GENERATING CONSISTENT STRUCTURE DATASETS. Fatima A. Pardo Avila , Paulina Cabral, Liv Weiner, Michael Levitt L2818-Pos Board LB111 A QUANTITATIVE APPROACH TO PRIORITIZE PTM SITES AND INFER FUNCTIONAL HIERARCHY. Kesaban Sankar Roy Choudhuri , Vanessa Leone L2819-Pos Board LB112 ELECTRIC FIELD AND TEMPERATURE DEPENDENCE ANALYSIS OF BOVINE SERUM ALBUMIN CONFORMATIONAL DYNAMICS USING MD SIMULA TIONS. Sage Paschall , Sachini Poornima Warsha Withanage, Jiali Li L2820 -Pos Board LB113 LEARNING REDOX POTENTIALS OF IRON-SULFUR CLUSTERS FROM PRO TEIN ENVIRONMENTS. Marcel D. Baer , Simone Raugei L2821-Pos Board LB114 A DIFFUSION-BASED FRAMEWORK FOR DESIGNING MOLECULES IN FLEXIBLE PROTEIN POCKET. Shreshty Budakoti , Jian Wang, Dong Yan Zhang, Nikolay V. Dokholyan L2822 -Pos Board LB115 MODELING F1-ATPASE WITH THE LANGEVIN METHOD. Noah Mejia , Sandor Volkan-Kacso Biomaterials (Boards LB116 - LB121) L2823-Pos Board LB116 PSMA-TARGETED LIPOSOMES FOR CASTRATION-RESISTANT PROSTATE CANCER THERAPY. Chia-Yang Li L2824-Pos Board LB117 HYDROGELS DERIVED FROM THE INFLAMMASOME ADAPTOR ASC: AP PLICATIONS IN INFLAMMASOME SEQUESTRATION AND THE DETECTION OF INFLAMMATION MARKERS. Eva De Alba , Ayomide J. Adeoye L2825-Pos Board LB118 MECHANISMS OF CRYOPRESERVATION OF 3D CELLULAR SPHEROIDS. Eui Bum Choi , Seung-Chul Shin, Jin-A Kim, Enhao Cui, Euijin Cha, Seok Chung, Dong June Ahn

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