Biophysical Society 62nd Annual Meeting | Program Guide

Protein Structure and Conformation: Computational Methods (Boards B1–B31) 231-Pos Board B1 TICKINGMECHANISMOF A BIOLOGICAL CLOCK. Andy LiWang 232-Pos Board B2 ZOOMING IN ON SOLVATION FREE ENERGY SURFACES IN ATOMISTIC SIMULATIONS. Matthias Heyden 233-Pos Board B3 QUANTITATIVE UNDERSTANDING OF DISTANCES FROM CROSS LINKING MASS SPECTROMETRY. Isaac Fillela-Merce, Guillaume Bouvier, Michael Nilges 234-Pos Board B4 MECHANISTIC PICTURE OF ALLOSTERIC INFORMATION FLOW OF HIV-1 RESTRICTION FACTOR, SAMHD1 VIA MD STUDIES. Kajwal K. Patra 235-Pos Board B5 International Travel Awardee INVESTIGATING THE STRUCTURE OF THE XPF-ERCC1 FUNCTIONAL ENDONUCLEASE USING A COMPUTATIONAL APPROACH. Francesco Gentile , Jack A. Tuszynski, Khaled H. Barakat 236-Pos Board B6 DYNAMICAL ANALYSIS METHODS FOR PROTEIN FOLDING SIMULA- TIONS. Ayori Mitsutake , Hiroshi Takano 237-Pos Board B7 PDB2CD: A WEB-BASED APPLICATION FOR THE GENERATION OF CIRCU- LAR DICHROISM SPECTRA FROM PROTEIN ATOMIC COORDINATES.  Elliot D. Drew , Lazaros Mavridis, Robert W. Janes 238-Pos Board B8 STRUCTURE-FUNCTION RELATIONSHIPS IN PROTEIN COMPLEXES.  Petras Kundrotas , Saveliy Belkin, Ilya Vakser 239-Pos Board B9 MOLECULAR BASIS FOR THE LINK BETWEEN MACULAR DEGENERATION AND A SINGLE NUCLEOTIDE POLYMORPHISM. Reed E. S. Harrison , Dimitrios Morikis 240-Pos Board B10 AN amBIGUOUS VIEW OF PROTEIN ARCHITECTURE. Guillaume Postic, Charlotte Périn, Yassine Ghouzam, Jean-Christope Gelly 241-Pos Board B11 International Travel Awardee GENERALIZATION OF THE ELASTIC NETWORK MODEL FOR THE STUDY OF LARGE CONFORMATIONAL CHANGES IN PROTEINS. Adolfo Poma , Panagiotis Theodorakis 242-Pos Board B12 SECONDARY STRUCTURE ELEMENTS–ANNOTATIONS AND SCHEMATIC 2D VISUALIZATIONS STABLE FOR INDIVIDUAL PROTEIN FAMILIES.  Radka Svobodova Varekova , AdamMidlik, Ivana Hutarova Varekova, Jan Hutar, Veronika Navratilova, Jaroslav Koca, Karel Berka 243-Pos Board B13 INTERACTIVE 3D MACROMOLECULAR STRUCTURE DATA MINING WITH MOLQL AND LITEMOL SUITE. David Sehnal , Mandar Deshpande, Alex- ander Rose, Lukas Pravda, AdamMidlik, Radka Svobodová Vařeková, Saqib Mir, Karel Berka, Sameer Velankar, Jaroslav Koca 244-Pos Board B14 THE PROTEIN RECYCLING MACHINE OF THE CELL–INSIGHTS THROUGH A NOVEL HYBRID INTEGRATIVE MODELING APPROACH. Till Rudack

245-Pos Board B15 STRUCTURAL ANALYSIS OF HUMAN GLYCOPROTEIN BUTYRYLCHOLINES- TERASE USING ATOMISTIC MOLECULAR DYNAMICS: THE IMPORTANCE OF GLYCOSYLATION SITE ASN 241 . Austen Bernardi, Karl Kirschner, Roland Faller 246-Pos Board B16 ACCURATE PREDICTION OF FORSTER RESONANCE ENERGY TRANSFER DURING CO-TRANSLATIONAL FOLDING WITH COARSE-GRAINED MO- LECULAR DYNAMICS SIMULATIONS. Daniel A. Nissley , Edward P. O’Brien 247-Pos Board B17 FLEXIBILITY OF FREE AND ACRB-BOUND ACRA IN THE ACRAB-TOLC MUL- TIDRUG EFFLUX PUMP OF ESCHERICHIA COLI DETERMINED USING 3D pmFS. Anthony Hazel , James C. Gumbart 248-Pos Board B18 IDENTIFYING A CONFORMATIONAL TRANSITION CRITICAL FOR CARBAPE- NEM DRUG RESISTANCE. George A. Cortina , Peter Kasson 249-Pos Board B19 SIMULATIONS SUGGEST A STRUCTURAL BASIS FOR NICOTINIC RECEPTOR ACTIVATION BY AGONISTS. Sushree Tripathy , Wenjun Zheng, Anthony Auerbach 250-Pos Board B20 DESMOPLAKIN AC MUTATIONS’ AFFECT ON STRUCTURE AND STABIL- ITY OF ITS NH 2 -TERMINUS. Taylor Albertelli , Heather R. Manring, Stuart Campbell, Maegen A. Ackermann, Nathan Wright 251-Pos Board B21 HOW LYMPHOMA MUTATION DISRUPTS FUNCTIONAL CONFORMATION OF IKK2 UNDER THE LENS OF COMPUTATIONAL MICROSCOPE. Thuy Tien T. Nguyen , Jamie Schiffer, Gourisankar Ghosh, Rommie amaro 252-Pos Board B22 RIGID ROD MODEL FOR THE DISORDERED DOMAINS OF RIBOSOMAL STALK PROTEINS P1P2. Simon Kit Sang Chu , Yi Wang 253-Pos Board B23 MOLECULAR DYNAMICS OF STREPTOCOCCUS PNUENOMAE AND CORY- NEBACTERIUM DIPHTHERIAE PILI. Emmanuel Naziga , Jeff Wereszczynski 254-Pos Board B24 MODELING AND CONFORMATIONAL ANALYSIS OF CYCLOTIDES, A CLASS OF MACROCYCLIC DISULFIDE BONDED PLANT PEPTIDES.  Neha V. Kalmankar , P. Balaram, Sowdhamini Ramanathan, Radhika Venkatesan 255-Pos Board B25 HYDROPHOBIC EFFECT: THE ENTROPIC STRUCTURE OF THE PROTEIN HYDRATION INTERFACE. Guillermo Ibal , Brian Oye, Hyun Joo, Jerry Tsai 256-Pos Board B26 Education Travel Awardee CONFORMATIONAL DYNAMICS OF DOPAMINE Β-HYDROXYLASE BY COMPUTER SIMULATIONS. Alida Besch , Alessandro Cembran 257-Pos Board B27 REMARKABLE SIMILARITY IN PLASMODIUM FALCIPARUM AND PLAS- MODIUM VIVAX GERANYLGERANYL DIPHOSPHATE SYNTHASE (GGPPS) DYNAMICS AND ITS IMPLICATION FOR ANTI-MALARIAL DRUG DE- SIGN. Aishwarya Venkatramani, Clarisse Gravina Ricci , Eric Oldfield, J. AndrewMcCammon 258-Pos Board B28 PH SENSITIVE CONFORMATIONAL CHANGES RESPONSIBLE FOR THE ANOMALOUS BEHAVIOR OF IONIZABLE RESIDUES IN THE HYDROPHO- BIC INTERIOR OF SNASE. Ankita Sarkar , Pancham Lal Gupta, Adrian E. Roitberg

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