Biophysical Society 62nd Annual Meeting | Program Guide

301-Pos Board B71 CAMBR CONFORMATIONAL FLEXIBILITY ON CAM-CAN ASSOCIATION RATE AND DISTAL HELIX’S INTERACTION SURFACE WITH CAM: A COMPU- TATIONAL STUDY. Bin Sun , Peter M. Kekenes-Huskey 302-Pos Board B72 BOLTZMANN DOCKING IDENTIFIES ALLOSTERIC SMALL MOLECULE MODULATORS OF PROTEIN ACTIVITY. Thomas E. Frederick , Kathryn M. Hart, Katelyn E. Moeder, Chris M.W. Ho, Maxwell I. Zimmerman, Gregory R. Bowman 303-Pos Board B73 THE IMPACT OF ALTERNATIVE BINDING SITE ON HCT SUBSTRATE PERMIS- SIVENESS FROM NUMERICAL ANALYSIS. Chun Kei Lam , Ying-Chih Chiang, Yi Wang Protein Assemblies I (Boards B74–B103) 304-Pos Board B74 SUPRAMOLECULAR ASSEMBLY OF CALSEQUESTRIN IS STABILIZED BY MULTIVALENT INTERACTIONS OF THE N-TERMINUS AND N-LINKED GLY- CANS.  Joseph M. Autry , Bengt Svensson, Ke Shi, Thomas E. Bohl, Steven E. Cala, John K. Lee, David D. Thomas, Hideki Aihara 305-Pos Board B75 MODELING REACTION-TRIGGERED INFECTIVITY DURING RETROVIRAL ASSEMBLY AND MATURATION. S. Kashif Sadiq 306-Pos Board B76 A NOVEL DRP1 INTERFACE SPECIFICALLY GOVERNS MFF INTERAC- TIONS. Ryan W. Clinton , Jason A. Mears 307-Pos Board B77 MOLECULAR BASIS FOR THE HIERARCHICAL DEPENDENCY OF COLLAGEN MECHANICS. Sameer Varma , Joseph P.R.O. Orgel, Jay D. Schieber 308-Pos Board B78 KNOWLEDGE-BASED COARSE-GRAINED MODEL FOR SIMULATING MULTI- PROTEIN COMPLEXES. Youngchan Kim , Jeetain Mittal 309-Pos Board B79 A INVESTIGATION ON THE INTERACTION BETWEEN VIRAL SUB- UNITS.  Jingzhi Chen , Maelenn Chevreuil, Yves Lansac, Guillaume Tresset 310-Pos Board B80 NONEQUILIBRIUM SELF-ASSEMBLY DYNAMICS OF ICOSAHEDRAL VIRAL CAPSIDS PACKAGING GENOME. Maelenn Chevreuil, Didier Law-Hine, Jingzhi Chen, Stéphane Bressanelli, Sophie Combet, Doru Constantin, Jéril Degrouard, Johannes Möller, Mehdi Zeghal, Guillaume Tresset 311-Pos Board B81 PODOCIN OLIGOMERIZATION REVEALED BY FRET ANALYSIS: SITES OF INTERALLELIC INTERACTIONS. Gusztav Schay , Pál Stráner, Eszter Balogh, Christelle Arrondel, Ágnes Mikó, Gerda L’Auné, Alexandre Benmerah, András Perczel, Dóra K. Menyhárd, Corinne Antignac, Géraldine Mollet, Kálmán Tory 312-Pos Board B82 SELF-ASSOCIATION MECHANISM OF E. COLI CLPA WALKER B VARI- ANTS. Elizabeth C. Duran , Aaron L. Lucius 313-Pos Board B83 RECONSTITUTION OF THE LIQUID LIQUID PHASE SEPARATION UNDERLY- ING THE MICROALGAL RUBISCO SUPERCHARGER. Tobias Wunder, Le Hung S. Cheng, Oliver Mueller-Cajar

287-Pos Board B57 IMPROVING DOCKING PERFORMANCE OF LARGE FLEXIBLE LIGANDS USING HOT SPOT INFORMATION PREDICTED BY FRAGMENT DOCK- ING. Minkyung Baek , Chaok Seok 288-Pos Board B58 BLIND PREDICTION OF PROTEIN-PEPTIDE COMPLEX STRUCTURES: A NOVEL METHOD AND A WEB SERVER. Xianjin Xu , Chengfei Yan, Xiaoqin Zou 289-Pos Board B59 PREFERENTIAL BINDING OF FLAVONOIDS WITH BOVINE SERUM ALBU- MIN: IN-SILICO AND SPECTROSCOPIC INSIGHT INTO CYTOTOXIC COMPE- TENCE. Bhumika Ray 290-Pos Board B60 COMPUTING PROTEIN-LIGAND BINDING ASSOCIATION RATE CONSTANTS BY COMBINING BROWNIAN DYNAMICS AND MOLECULAR DYNAMICS SIMULATIONS. S. Kashif Sadiq , Rebecca C. Wade 291-Pos Board B61 MDOCKSERVER: AN EFFICIENT DOCKING PLATFORM FOR INVERSE VIR- TUAL SCREENING. Zhiwei Ma , Xianjin Xu, Xiaoqin Zou 292-Pos Board B62 KINETIC MACHINE LEARNING UNRAVELS LIGAND-DIRECTED CONFOR- MATIONAL CHANGE OF Μ OPIOIDRECEPTOR. Evan N. Feinberg , Vijay S. Pande, amir Barati Farimani, Carlos X. Hernandez 293-Pos Board B63 MODELLING INTERACTIONS OF UROKINASE PLASMINOGEN ACTIVATOR WITH amILORIDE AND ITS DERIVATIVES. Peggy Palsgaard , Fredric A. Gorin, Igor Vorobyov 294-Pos Board B64 MOLECULAR MECHANISM OF RESISTANCE TO KINASE INHIBITORS CLARI- FIED BY A BINDING FREE ENERGY COMPUTATION METHOD AND ITS IMPROVEMENT BY INCORPORATING PROTEIN FLEXIBILITY. Mitsugu Araki , Yasushi Okuno 295-Pos Board B65 HYDROGEN BOND SURROGATE BETA-HAIRPINS TO INHIBIT PROTEIN- PROTEIN INTERACTIONS. Nicholas Sawyer , Paramjit S. Arora 296-Pos Board B66 CANDOCK: CONFORMATIONAL ENTROPY DRIVEN ANALYTICS FOR CLASS- SPECIFIC PROTEOME-WIDE DOCKING.  Jonathan A. Fine , Gaurav Chopra 297-Pos Board B67 TOWARDS BIOMIMETIC PHOSPHATE RECOVERY: MOLECULAR DYNAMICS SIMULATIONS OF PHOSPHATE BINDING PROTEINS. Sigurd F. Truelsen , Yong Wang, Kresten Lindorff-Larsen, Claus Hélix-Nielsen 298-Pos Board B68 BINDING FREE ENERGY CALCULATION OF PROTEIN-CARBOHYDRATE COMPLEXES: LEARNINGS SO FAR. Sushil K. Mishra , Jaroslav Koča, Yoshiki Yamaguchi 299-Pos Board B69 ALL-ATOM STUDY OF THE INTERACTIONS OF THE NEUROTRANSMITTERS DOPAMINE AND NOREPINEPHRINE WITH Α-SYNUCLEIN OLIGOMERS AND THE EFFECTS ON NUCLEATION. Yu Zou , Junhang Hu, Qingwen Zhang 300-Pos Board B70 PREDICTION OF BINDING HOT SPOTS IN CYCLOOXYGENASE AND THEIR IMPLICATION TO PROTEIN-PROTEIN AND PROTEIN-LIGAND INTERAC- TIONS.  Inseok Song

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