Biophysical Society 62nd Annual Meeting | Program Guide

Computational Methods and Bioinformatics I (Boards B602–B619) 1693-Pos Board B602 A DATA DICTIONARY AND PROTOTYPE DEPOSITION SYSTEM FOR AR- CHIVING INTEGRATIVE/HYBRID MODELS. Brinda Vallat , Benjamin Webb, John Westbrook, Andrej Sali, Helen Berman 1694-Pos Board B603 MOLQL: TOWARDS A COMMON GENERAL PURPOSE MOLECULAR QUERY LANGUAGE. Alexander S. Rose , David Sehnal, Spencer Bliven, Stephen K. Burley, Sameer Velankar 1695-Pos Board B604 COMPARATIVE PROTEIN DYNAMICS WITH DROIDS 1.0–A GUI-BASED PIPELINE FOR FUNCTIONAL EVOLUTIONARY PROTEIN ANALYSIS AND VISUALIZATION. Gregory A. Babbitt , Jamie S. Mortensen, Erin E. Coppola, Lily E. Adams, Justin K. Liao 1696-Pos Board B605 CHANNELSDB AND MOLEONLINE–DATABASE AND TOOL FOR ANALYSIS OF BIOMACROMOLECULAR TUNNELS AND PORES. Lukáš Pravda, David Sehnal, Karel Berka , Veronika Navrátilová, Dominik Toušěk, Václav Ba- zgier, Radka Svobodová Vařeková, Michal Otyepka, Jaroslav Koča 1697-Pos Board B606 DESIGN PRINCIPLES FOR FUNCTIONALIZED SURFACES. Tamara C. Bidone , Aravind Rammohan, Matt McKenzie, Gregory A. Voth 1698-Pos Board B607 INTERACTIVE EXPLORATION OF NON-COVALENT INTERACTIONS WITH THE NGL VIEWER. Alexander S. Rose , Stephen K. Burley 1699-Pos Board B608 NOVEL TOOLS FOR ANALYZING THE THREE-DIMENSIONAL CELLULAR SHAPE SPACE. C. David Williams , Julie A. Theriot, Molly M. Maleckar, The Allen Inst for Cell Science 1700-Pos Board B609 EXPLORING DEEP NEURAL NETWORK ARCHITECTURES FOR AUTOMATED ELECTRON MICROGRAPH SEGMENTATION. Matthew D. Guay , Zeyad A. Emam, Adam B. Anderson, Richard D. Leapman 1701-Pos Board B610 PERMM: WEB SERVER AND DATABASE FOR PREDICTION OF MEMBRANE PERMEABILITY AND TRANSLOCATION PATHWAYS OF MOLECULES.  Irina D. Pogozheva , Henry I. Mosberg, Andrei Lomize 1702-Pos Board B611 FAST, ACCURATE PH DEPENDENT ALCHEMICAL FREE ENERGY CALCULA- TIONS TOWARDS RATIONAL DRUG DESIGN. Daniel J. Mermelstein 1703-Pos Board B612 EFFICIENT FLEXIBLE-BACKBONE DOCKING OF CHALLENGING PROTEIN COMPLEXES. Shourya S. Roy Burman , Nicholas A. Marze, William Shef- fler, Jeffrey J. Gray 1704-Pos Board B613 CHARMM-GUI MEMBRANE BUILDER WITH GLYCOLIPIDS AND LIPOPOLY- SACCHARIDES.  Jumin Lee , Göran Widmalm, Jeffery B. Klauda, Wonpil Im 1705-Pos Board B614 GAMER 2.0: SOFTWARE TOOLKIT FOR ADAPTIVE MESH GENERATION FROM STRUCTURAL BIOLOGICAL DATASETS. Christopher T. Lee , John Moody, Michael J. Holst, J. AndrewMcCammon, Rommie E. amaro 1706-Pos Board B615 ‘MARTINIZING’ THE VARIATIONAL IMPLICIT SOLVENT METHOD (VISM): SOLVATION FREE ENERGY FOR COARSE-GRAINED PROTEINS. Clarisse Gravina Ricci , Bo Li, Li-Tien Cheng, Joachim Dzubiella, J. AndrewMcCam- mon

1678-Pos Board B587 THE EFFECTS OF LINKER HISTONE ISOFORMS ON THE STRUCTURE AND DYNAMICS OF THE CHROMATOSOME. Dustin C. Woods , Jeff Wereszczynski 1679-Pos Board B588 HOW PROTEINS BIND TO DNA. TARGET DISCRIMINATION AND DYNAMIC SEQUENCE INTERROGATION ON TELOMERES. Milosz Wieczor , Jacek Czub 1680-Pos Board B589 ATOMIC-LEVEL CHARACTERIZATION OF THE HIV-1 CAPSID AND HOST- PATHOGEN INTERACTIONS FROMMOLECULAR DYNAMICS SIMULA- TIONS.  Juan R. Perilla 1681-Pos Board B590 MOLECULAR DYNAMICS SIMULATION OF TOLL-LIKE RECEPTOR 4 (TLR4) ECTODOMAIN. Alireza Tafazzol , Yong Duan 1682-Pos Board B591 CHARACTERIZING THE MOTIONS OF N2-N3 DOMAINS OF ISDH.  Joseph Clayton , Jeff Wereszczynski 1683-Pos Board B592 COVALENT COMPLEX MODEL OF DNA TOPOISOMERASE AND DNA FOR MOLECULAR DYNAMICS SIMULATION. Purushottam Tiwari , Prem Chap- again, Yuk-Ching Tse-Dinh, Aykut Uren 1684-Pos Board B593 MOLECULAR DYNAMICS AND DOCKING STUDIES ON ACETYLCHOLINES- TERASE (ACHE) INHIBITORS. Rejwan Ali , Mostafa Sadoqi, Simon Moller, Allal Boutajangout, Mihaly Mezei 1685-Pos Board B594 OLIGOMERIZATION OF NICOTINIC ACETYLCHOLINE RECEPTORS IN DOMAIN-FORMING MEMBRANES. Kristen N. Woods , LiamM. Sharp, Grace Brannigan 1686-Pos Board B595 EXPERIMENTAL AND COMPUTATIONAL STUDIES OF STRUCTURAL DIFFER- ENCES BETWEEN ALTERNATIVE EXON SKIPPED REPAIRS FOR DUCHENNE MUSCULAR DYSTROPHY. Manyuan Ma , Nick Menhart, Jeff Wereszczynski 1687-Pos Board B596 MOLECULAR DYNAMICS SIMULATION STUDIES OF POLYMYXIN B DERIVA- TIVES IN HOMOGENEOUS E. COLI K12 BILAYERS. Seonghoon Kim , Marcos Pires, Wonpil Im 1688-Pos Board B597 MOLECULAR DYNAMICS SIMULATIONS FOR CONFORMATIONAL CHANG- ES ON A REACTION STEP OF SR-CA 2+ -ATPASE. Chigusa Kobayashi , Yasuhiro Matsunaga, Jaewoon Jung, Yuji Sugita 1689-Pos Board B598 INFLUENZA VIRAL ENVELOPE SIMULATION REVEALS NOVEL DRUGGABLE POCKETS ON SURFACE GLYCOPROTEINS. Sarah E. Kochanek , Jacob D. Durrant, Rommie E. amaro 1690-Pos Board B599 NOVEL INSIGHTS TO THE DESIGN OF APOLIPOPROTEIN AI MIMETIC PEP- TIDES. Mohsen Pourmousa , Richard W. Pastor 1691-Pos Board B600 RESULTS REGARDING THE RESOLVING OF MEMBRANE-PROTEIN COM- PLEXES USING NEUTRON REFLECTION IN MOLECULAR DYNAMICS.  Bradley W. Treece , Arvind Ramanathan, Frank Heinrich, Mathias Lösche 1692-Pos Board B601 MODELING THE ROTATIONAL DYNAMICS OF NOVEL HETERO-FRET PROBES AS MEASURED USING TIME-RESOLVED ANISOTROPY. Ryan E. Leighton , Hannah Leopold, Jacob Schwarz, Arnold J. Boersma, Erin D. Sheets, Ahmed A. Heikal

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