BPS Program Book 2014

3298-P os B oard #B26 A MODEL FOR ALLOSTERIC CONTROL OF PORE OPENING BY SUBSTRATE BINDING IN THE EUTL MICROCOMPARTMENT SHELL PROTEIN. Michael C. Thompson , Sunny Chun, Todd O. Yeates 3299-P os B oard #B27 COVARIANCE RATION ANALYSIS OF MOLECULAR DYNAMICS TRAJECTORIES OF HIV-1 REVERSE TRANSCRIPTASE. James Seckler , Serdal Kirmizialtin, Kenneth A. Johnson, Alan Grossfield 3300-P os B oard #B28 SPECTROSCOPIC ANALYSIS OF CHANNELRHODOPSIN AND ITS CHROMOPHORE. Vera Muders , Silke Kerruth, Victor Lorenz-Fonfria, Joachim Heberle, Ramona Schlesinger 3301-P os B oard #B29 BORDETELLA PERTUSSIS ADENYLATE CYCLASE TOXIN: POTENTIAL MODULATOR OF CALMODULIN METAL-BINDING PROPERTIES. Tzvia I. Cuperman , Erich J. Goebel, Huaqun Zhang, Natosha L. Finley 3302-P os B oard #B30 IMODS: FAST EXPLORATION OF MACROMOLECULAR COLLECTIVE MOTIONS. Jose Rámon López-Blanco, Erney Ramirez, Santiago Garcia, Pablo Chacon Protein Design, Prediction, and Evolution (Boards #B31–#B55) 3303-P os B oard #B31 RATIONAL STRUCTURE-BASED DESIGN OF PLN MUTANTS TO OPTIMIZE DEPHOSPHORYLATION AND TUNE SERCA FUNCTION. Choua Xiong, Adedolapo Ojoawo, Gianluigi Veglia, Kim N. Ha 3304-P os B oard #B32 PROTEIN-CHROMOPHORE INTERACTIONS IN GREEN FLUORESCENT PROTEIN (GFP) STUDIED BY SPLIT PROTEIN RECONSTITUTION. Luke M. Oltrogge , Steven G. Boxer 3305-P os B oard #B33 SIDE CHAIN ENTROPY IN ENZYMES AND ITS ROLE IN CATALYSIS. Asmit Bhowmick 3306-P os B oard #B34 RATIONALIZING DIRECTED EVOLUTION THROUGH PROTEIN DYNAMICS. Saurabh Belsare 3307-P os B oard #B35 UNDERSTANDING THE STRUCTURAL DETERMINANTS FOR THE STABILITY OF HUMAN FIBROBLAST GROWTH FACTOR. Rachael A. Pellegrino , Rebecca Kerr, T.K.S. Kumar 3308-P os B oard #B36 IS THERE A BETA-PEPTIDE EQUIVALENT OF THE ALPHA-HE- LIX? Carsten Baldauf , Franziska Schubert, Kevin Pagel, Stephan Warnke, Mariana Rossi, Mario Salwiczek, Beate Koksch, Gert von Helden, Volker Blum 3309-P os B oard #B37 ​NOVEL COMPUTATIONAL METHODS TO DESIGN PROTEIN- PROTEIN INTERACTIONS​. Alice Qinhua Zhou , Corey S. O’Hern, Lynne Regan 3310-P os B oard #B38 FROM AMINOMUTASES TO AMMONIA LYASES: A PROTEIN ENGINEERING STUDY. Marcelo F. Masman , Matthew M. Heberling, Dick B. Janssen

3311-P os B oard #B39 SIMPLE RULES IMPOSED ON A PRIMITIVE CUBIC LATTICE ROBUSTLY GENERATE STRUCTURES THAT MIMIC FEATURES OF REAL PROTEINS. Deniz Turgut, Osman B. Okan, Aravind Rammohan, Angel E. Garcia, Rahmi Ozisik 3312-P os B oard #B40 INFERRING PROTEIN STRUCTURES FROM SPARSE AND AMBIGUOUS DATA. Justin L. MacCallum , Alberto Perez, Kenneth A. Dill 3313-P os B oard #B41 SIMULATION STUDY OF SOLUBLE TOXIC OLIGOMERIC COMPUTER SIMULATIONS FOR PREDICTING MEMBRANE PROTEIN STRUCTURES WITH THE REPLICA-EXCHANGE METHODS AND IMPLICIT MEMBRANE MODEL OF A RESTRICTED CONFIGURATIONAL SPACE. Ryo Urano , Yuko Okamoto 3315-P os B oard #B43 TOWARD A GLOBAL VIEW OF THE CONFORMATIONAL LANDSCAPE OF THE HUMAN KINOME. Daniel L. Parton , Diwakar Shukla, Yutong Zhao, Vijay S. Pande, John D. Chodera 3316-P os B oard #B44 DOCKING BENCHMARK SET OF PROTEIN MODELS. Ivan Anishchanka , Petras J. Kundrotas, Alexander V. Tuzikov, Ilya A. Vakser 3317-P os B oard #B45 STRUCTURAL SIMILARITY INMODELING OF HOMODIMERS. Petras Kundrotas , Ilya Vakser, Joël Janin 3318-P os B oard #B46 THREE-DIMENSIONAL STRUCTURE OF THE 54-KDA SUBUNIT OF THE CHLOROPLAST SIGNAL RECOGNITION PARTICLE USING MOLECULAR MODELING. Rory Henderson , Mercede Furr, Srinivas Jayanthi, Alicia Brown, Robyn Goforth, Ralph Henry, T.K.S. Kumar 3319-P os B oard #B47 A MOLECULAR DYNAMICS SIMULATION STUDY OF OUTER MEMBRANE PHOSPHOLIPASE A (OMPLA) STRUCTURE AND DYNAMICS IN AN ASYMMETRIC LIPOPOLYSACCHARIDE MEMBRANE. Emilia L. Wu , Patrick J. Fleming, Jeffery B. Klauda, Karen G. Fleming, Wonpil Im 3320-P os B oard #B48 MODULAR PLATFORM FOR BIOMOLECULAR MODELING AND SIMULATIONS. Dominik Gront 3321-P os B oard #B49 A GLOBAL MACHINE LEARNING BASED SCORING FUNCTION FOR PROTEIN STRUCTURE PREDICTION. Eshel Faraggi, Andrzej Kloczkowski 3322-P os B oard #B50 NEW INSIGHTS ON THE MECHANISM OF ACTION OF ICE- BINDING PROTEINS. Ran Drori , Yeliz Celik, Peter L. Davies, Ido Braslavsky 3323-P os B oard #B51 CAN A PROTEIN’S EVOLUTIONARY FATE BE PREDICTED FROM ITS STRUCTURE? Amy I. Gilson , Eugene I. Shakhnovich 3324-P os B oard #B52 PROBING AN ANCIENT PROTEIN’S DYNAMICS WITH NMR. Marc S. Hoemberger , Christopher G. Wilson, Dorothee Kern STRUCTURES OF AMYLOID-BETA. Sukanya Sasmal , Timothy Balmorez, K. Aurelia Ball, Teresa Head-Gordon 3314-P os B oard #B42

W E

D N

E S

D A Y

175

Biophysical Society 58 th Annual Meeting, San Francisco, California