Biophysical Society 65th Annual Meeting Program Guide

590-Pos B oard B41 EXPLORING THE BINDING AFFINITIES OF FRUCTOSE AND GALACTOSE TO HUMAN SERUM ALBUMIN. Prapasiri Pongprayoon 591-Pos B oard B42 COMPREHENSIVE CHARACTERIZATION OF LIGAND UNBINDING MECHA- NISMS AND KINETICS FOR T4 LYSOZYME MUTANTS. Ariane Nunes- Alves , Daria B. Kokh, Rebecca C. Wade 592-Pos B oard B43 EXPLORING THE PROTEIN-LIGAND PATHS IN AURORA A/B KINASES WITH ENHANCED MOLECULAR DYNAMICS SIMULATIONS. Felipe Bravo-Moraga , Ariela Vergara-Jaque, Jans Alzate-Morales 593-Pos B oard B44 COMPUTATIONAL ANALYSIS OF THE NEUROKININ-1 RECEPTOR INTERAC- TIONS WITH ANTAGONISTS. Marcelo Cardoso dos Reis Melo , Cesar de la Fuente-Nunez 594-Pos B oard B45 USING COMPUTATIONAL AND NEUROBIOLOGICAL METHODS TO CHARACTERISE THE STIMULANT PROPERTIES OF NOVEL PSYCHOAC- TIVE SUBSTANCES (NPS) AT THE DOPAMINE TRANSPORTER. Michelle A. Sahai , Barbara Loi, Maria Antonietta De Luca, Hana Shiref, Jolanta Opacka-Juffry 595-Pos B oard B46 ANALYSIS OF L-DOPA AND DROXIDOPA BINDING TO HUMAN BETA 2-AD- RENERGIC RECEPTOR. Andrea Catte , Akash Deep Biswas, Sara Del Galdo, Giordano Mancini, Vincenzo Barone 596-Pos B oard B47 ASSESSING STATE DEPENDENT BETA-ADRENERGIC RECEPTOR - LIGAND INTERACTIONS FOR MULTISCALE MODELING. John R.D. Dawson , Kevin R. DeMarco, Pei-Chi Yang, Slava Bekker, Vladimir Yarov-Yarovoy, Igor V. Vorobyov 597-Pos B oard B48 MOLECULAR DETERMINANTS OF THE NEUROTOXICITY OF ACRYLAMIDE THROUGH COVALENT DOCKING. Nicolas P. Müller, Mercedes Alfonso Prieto 598-Pos B oard B49 INTERACTION AND INHIBITORY MECHANISMS OF KOLAFLAVANONE, A GARCINIA BIFLAVONOID, WITH KINESIN EG5. Tomisin H. Ogunwa , Kei Sadakane, Takayuki Miyanishi, Shinsaku Maruta 599-Pos B oard B50 COMPUTATIONAL ASSESSMENT OF RECEPTOR-LIGAND UNBINDING UNDER APPLIED FORCE. Willmor J. Pena , Glen M. Hocky Protein Dynamics and Allostery I (Boards B51 - B75) 600-Pos B oard B51 SITE-SPECIFIC PHOTOINDUCED DYNAMICS OF THE LOV PROTEIN EL222 MONITORED BY MULTIPLE GENETICALLY ENCODED INFRARED PROBES. Aditya S. Chaudhari, Catarina A. Oliveira, Yingliang Liu, Prokopis C. Andrikopoulos, Inger Andersson, Bohdan Schneider, Gustavo Fuertes 601-Pos B oard B52 CONFORMATIONAL REARRANGEMENT DURING ACTIVATION OF A METABOTROPIC GLUTAMATE RECEPTOR. Brandon W. Liauw , Hamid S. Afsari, Reza Vafabakhsh 602-Pos B oard B53 EFFECT OF DONOR IDENTITY ON FRET SENSOR SENSITIVITY TO ENVI- RONMENTAL MACROMOLECULAR CROWDING. Chioma Nwachuku , Emmanuel Tetteh-Jada, Malachy Brink, Scarlet Hoffman, Elsie Johnson, Arnold J. Boersma, Erin D. Sheets, Ahmed A. Heikal

576-Pos B oard B27 BIOCHEMICAL AND STRUCTURAL CHARACTERIZATION OF TWO CIF-LIKE EPOXIDE HYDROLASES FROM BURKHOLDERIA CENOCEPACIA . Noor M. Taher , Kelli L. Hvorecny, Cassandra M. Burke, Morgan S.A. Gilman, Gary E. Heussler, Jared Adolf-Bryfogle, Christopher D. Bahl, George A. O’Toole, Dean R. Madden 577-Pos B oard B28 STRUCTURAL STUDIES OF THE NEURONAL APOPTOTIC COMPLEX OF THE PRONGF-P75 NTR -SORTILIN. Purbasha Nandi , Yu-Ping Poh, Po-Lin Chiu 578-Pos B oard B29 ELABORATION OF MECHANISMS BY WHICH DISTINCT APELIN RECEPTOR BIOACTIVITY IS ELICITED BY ENDOGENOUS PEPTIDE LIGAND PROCESS- ING. Tam Pham , Jayatee Ray, Jan K. Rainey 579-Pos B oard B30 ATOMISTIC INSIGHTS ON STRUCTURE AND DYNAMICS OF SPINACH ACYL CARRIER PROTEIN WITH SUBSTRATE LENGTH. Marcel D. Baer , John Shanklin, Simone Raugei 580-Pos B oard B31 STRUCTURE AND DYNAMICS OF THE ENDOGENOUS MYCOBACTERIAL POLYKETIDE SYNTHASE PKS13 IN ACTION. Sun Kyung Kim 581-Pos B oard B32 Withdrawn 582-Pos B oard B33 STRUCTURAL INVESTIGATION ON THE SUBSTRATE SPECIFICITY OF MYCO- BACTERIAL 3-KETOSTEROID-1,2-DEHYDROGENASE. Xin Li , Xiyao Cheng, Yue Han, Zhengkun Kuang, Yongqi Huang, Zhengding Su 583-Pos B oard B34 CHARACTERIZING THE STRUCTURE AND FUNCTION OF RHODOQUINONE BIOSYNTHESIS ENZYMES. Trilok Neupane , Sophia Whitworth, Jamie Spawn, Jennifer Shepherd, David N. Langelaan Protein-Small Molecule Interactions I (Boards B35 - B50) 584-Pos B oard B35 THE IMPACT OF LOCAL ENVIRONMENT ON SIMULATED METABOLITE CONFORMATIONS. Meredith Rickard , Ashley M. De Lio, Taras V. Pogore- lov 585-Pos B oard B36 ATOMIC RESOLUTION MECHANISM OF GTP RECOGNITION BY GT- PASE. Bhupendra R. Dandekar, Navjeet Ahalawat, Jagannath Mondal 586-Pos B oard B37 SOLVATION CONTRIBUTION TO THE FREE ENERGY OF LIGAND BINDING IS DETERMINED BY THE COUPLING BETWEEN SURFACE HYDRATION STRUC- TURE AND SIDE CHAIN MOTION. Jie Shi , Jae-Hyun Cho, Wonmuk Hwang 587-Pos B oard B38 CAPTURING PROTEIN-LIGAND RECOGNITION PATHWAYS IN COARSE GRAINED SIMULATIONS. Bhupendra R. Dandekar 588-Pos B oard B39 ESTIMATING PROTEIN-LIGAND RELATIVE BINDING AFFINITIES USING THE SITE-IDENTIFICATION BY LIGAND COMPETITIVE SATURATION AP- PROACH. Himanshu Goel, Anthony Hazel , Vincent D. Ustach, Sunhwan Jo, Wenbo Yu, Alexander D. MacKerell 589-Pos B oard B40 MULTISCALE SIMULATIONS EXAMINING GLYCAN SHIELD EFFECTS ON DRUG BINDING TO INFLUENZA NEURAMINIDASE. Christian Seitz , Lorenzo Casalino, Robert Konecny, Gary Huber, Rommie E. Amaro, J. AndrewMc- Cammon

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