BPS2026 Program Book

Protein-Small Molecule Interaction (Boards LB1 - LB16)

L2475-Pos Board LB14 PFAS ACCUMULATION PATHWAY AND LIGAND GATING MECHANISM IN PLANTS. Nazli Goksel Carpa , Hamed Sayyed Hayatshahi, Angela K. Wilson L2476-Pos Board LB15 PRECISION POLYPHARMACOLOGY OF SALACIA RETICULATA: TARGET ING THE RAGE/MMP-9/JAK2 INFLAMMATORY AXIS IN TYPE 2 DIABE TES. Shan Lakshmanan, Srishan Shanmugamurthy , Daniel Lituma González, Tanishque Verma, Arulviyabini Rajesh L2477-Pos Board LB16 TARGETING THE PERIODONTITIS-NEURODEGENERATION AXIS: SYMPLO COS RACEMOSA PHYTOCHEMICALS AS DUAL GINGIPAIN/MAO-A INHIBI TORS. Shan Lakshmanan, Tanishque Verma, Akshara Gurrala , Akksaiya Priadeep, Daniel Lituma-González Protein Dynamics and Allostery (Boards LB17 - LB35) L2478-Pos Board LB17 EFFECT OF ENVIRONMENTAL PERTURBATIONS ON THE CONFORMA TIONAL DYNAMICS OF HUMAN GD CRYSTALLIN. Arlind Kacirani , Betul Uralcan, Amir Haji-Akbari L2479-Pos Board LB18 IMPLEMENTATION OF 19 F AS A PROBE FOR DETECTION OF PROTEIN DY NAMICS IN THE LOW-MICROSECOND TIMESCALE VIA NMR RELAXATION DISPERSION. Juan Felipe Alvarado Daza , Dwaipayan Mukhopadhyay, Claudia Schwiegk, Karin Giller, Stefan Becker, Christian Griesinger L2480-Pos Board LB19 SYSTEMATIC IDENTIFICATION OF FUNCTIONAL ALLOSTERIC SITES VIA INTEGRATION OF THE AMPS™ SCREENING WITH AI/ML AND PHYSICS BASED COMPUTATIONAL METHODS. Rajiv G. Gandhi , Joann Prescott Roy, Gordon Murray, Joseph H LaPointe, Aaron Coffin, Truc Pham, Benjamin Brigham, Thomas Roddy, Marion Dorsch, Maria-Jesus Blanco, Anil Padyana L2481-Pos Board LB20 ON THE USE OF CONTACT COOPERATIVITY TO IDENTIFY ALLOSTERIC TRANSITIONS. David Wang , Robert B. Best L2482-Pos Board LB21 SIMULATING STRUCTURAL TRANSITIONS OF HIV-1 ENV PROTEIN DUR ING REFOLDING. Salah Hassan , Alicia Schaefer, George Wanes, Zhuan Qin, Michael Grunst, Mohamed Shehata, Lorenzo Casalino, Rommie E. Amaro, Jose N. Onuchic, Walther Mothes, Wenwei Li, Paul Whitford L2483-Pos Board LB22 CONFORMATIONAL COMMUNICATION AND INTER-DOMAIN DYNAM ICS IN THE CRBN-DDB1 E3 LIGASE COMPLEX. Elijah K. Pile , Sonya M. Hanson L2484-Pos Board LB23 ORTHOSTERIC AND ALLOSTERIC EFFECTS OF ANTI-CRISPR II-C1 INHIBI TION OF GEO CAS9 FROM INTEGRATED STRUCTURAL BIOLOGY. Alexa Knight , Helen Belato, Charlotte Dresser, Chinmai Pindi, Pablo R. Arantes, Jinping Luo, Briana Mercado, Praise Lasekan, Gerwald Jogl, Giulia Pal ermo, George Lisi L2485-Pos Board LB24 REGULATION OF NEURON-LOCALIZED PHOSPHOLIPASE C-ETA1,2. Marie Bennett , Maria E. Falzone

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L2462-Pos Board LB1 CRYO-EM REVEALS HOW ASX-173 INHIBITS HUMAN ASPARAGINE SYNTHETASE TO ACTIVATE THE INTEGRATED STRESS RESPONSE. Yuichiro Takagi , Kirk Staschke, Nicholas Walda, Lucciano Pearce, Ronald Wek, Wen Zhu, Nigel G. Richards L2463-Pos Board LB2 RESOLVING NANOMOLAR AFFINITIES WITH ITC: KEY FACTORS AND INSTRUMENTAL LIMITS. Roberto Cao-Milan , Amanda Figueroa-Navedo, Stoyan Milev, Agatha Rosenthal, Rainer Bauder L2464-Pos Board LB3 PARALLEL COMPUTATIONAL AND IN VITRO APPROACHES TO PROBE JNK SIGNALING MODULATION BY CANNABIDIOL. Keming Qiu , Madalyn L. Critz, Benjamin B. Land L2465-Pos Board LB4 DEVELOPING A DIFFERENTIAL SCANNING FLUORIMETRY (DSF) PLAT FORM FOR UBIQUITIN PROTEOFORM DETECTION. Amie Trinh , Jasmin Ho, Emma Carroll L2466-Pos Board LB5 UN- FROG -ETTABLE GLOW: NEAR-INFRARED FLUORESCENCE OF NEO TROPICAL FROGS. Vignesh Ravichandran , Grace Harvey, Carlos Taboada L2467-Pos Board LB6 LIGAND BINDING ENTROPY CAN BE PREDICTED FROM CRYSTALLO GRAPHIC ENSEMBLES. Charlotte A. Miller , Stephanie A. Wankowicz L2468-Pos Board LB7 PREDICTING NA V - SMALL MOLECULE INTERACTIONS WITH IMPROVED CYTOSOLIC AND EXTRACELLULAR CHANNEL DESCRIPTIONS. Randy K. Appiah , Spencer K. Lile, Steven R. Gwaltney, Christopher N. Johnson L2469-Pos Board LB8 BINDING SITE PRE-ORGANIZATION IS A LEARNABLE, SEQUENCE-EN CODED MECHANISM OF ENTROPIC PRE-PAYMENT. Louella Seo , A. Clay Richard, Stephanie A. Wankowicz L2470-Pos Board LB9 ONCOGENIC KRAS MUTATIONS AND THEIR INFLUENCE ON GTP HYDRO LYSIS MECHANISMS. Lin Song, Dana Rabara, Semiha Kevser Bali , Jun Pei, Edmond Lau, Dan Kirshner, Felice C. Lightstone, Frank McCormick, Andrew G. Stephen, Yue Yang L2471-Pos Board LB10 INVESTIGATING G PROTEIN COUPLED ESTROGEN RECEPTOR INTERAC TIONS WITH ESTRADIOL BY COMPUTATIONAL METHODS. Ricky Sexton , Yanxiao Han L2472-Pos Board LB11 RATIONAL PROTAC DESIGN TARGETING RIPK1 VIA TRANSIENTLY STABLE RIPK1-VHL INTERACTIONS. Yue Wu, Xuhui Huang L2473-Pos Board LB12 BIOPHYSICAL AND BIOCHEMICAL EVALUATION OF WD-REPEAT-CON TAINING PROTEIN 5 (WDR5) DEGRADERS. Ruchika Dadhich L2474-Pos Board LB13 TRACKING TRANSIENT INTERACTIONS BETWEEN PCP DOMAINS AND PROSTHETIC GROUPS BY NMR. Nathan H. Lee , Kenneth Marincin, Indrani Pal, Ananya K. Majumdar, Dominique P. Frueh

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