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161
3155-Pos
Board B532
DESIGN AND DEVELOPMENT OF A TELOMERE SENSOR BASED ON FLUO-
RESCENCE ENERGY TRANSFER.
Haitao Li
3156-Pos
Board B533
BEYOND AN ‘ON˗OFF’ ACTIVATION MODEL OF G˗PROTEIN˗COUPLED RE-
CEPTORS.
Julia Wagner
, Mike Friedrich, Martin J. Lohse, Katrin G. Heinze
3157-Pos
Board B534
DETERMINING THE STOICHIOMETRY OF EGFR AND ADRβ2 USING CELL
FUSION AND SINGLE MOLECULE IMAGING.
Maria Sirenko
, Avtar Singh,
Alexander Song, Paul Kammermeier, Warren Zipfel
3158-Pos
Board B535
BIFUNCTIONAL RHODAMINE LINKER SIMPLIFIES COLOCALIZATION STUD-
IES IN SINGLE-MOLECULE IMAGING.
Richard A. Haack
, Patrick J.
Macdonald, Qiaoqiao Ruan, Richard J. Himmelsbach, Sergey Y. Tetin
3159-Pos
Board B536
SINGLE-MOLECULE APPROACHES TO MEMBRANE NANOTUBES.
Minhyeok Chang
, Jungsic Oh, Ryangguen Lee, Jong-Bong Lee
3160-Pos
Board B537
INVESTIGATING THE KINETICS AND SPECIFICITY OF TRANSCRIPTION
ACTIVATOR-LIKE EFFECTOR BINDING USING HIGH THROUGHPUT SINGLE
MOLECULE IMAGING.
Alexander L. Van Slyke
, Avtar Singh, Fabio Cupri
Rinaldi, Adam J. Bogdanove, John T. Lis, Warren R. Zipfel
Molecular Dynamics II (Boards B538 - B567)
3161-Pos
Board B538
GNEIMOSIM: MULTISCALE INTERNAL COORDINATES MOLECULAR
DYNAMICS FOR PROTEINS.
Saugat Kandel
, Adrien B. Larsen, Abhinandan
Jain, Nagarajan Vaidehi
3162-Pos
Board B539
LOOS: A TOOLKIT FOR ANALYZING MOLECULAR SIMULATIONS AND
MAKING NEW TOOLS. Tod D. Romo,
Alan Grossfield
3163-Pos
Board B540
CHARMM-GUI INPUT GENERATOR FOR NAMD, GROMACS, AMBER,
OPENMM, AND CHARMM/OPENMM SIMULATIONS USING THE
CHARMM36 ADDITIVE FORCE FIELD.
Jumin Lee
, Xi Cheng, Sunhwan Jo,
Alexander D. MacKerell Jr., Jeffery B. Klauda, Wonpil Im
3164-Pos
Board B541
EASY AND FAST SETUP OF MOLECULAR DYNAMICS SIMULATIONS: COM-
BINING VMD AND NAMD FOR EXPERIMENTALISTS.
Joao V. Ribeiro
, Rafael
C. Bernardi, Till Rudack, Klaus Schulten
3165-Pos
Board B542
ACCELERATING ORTHOGONAL SPACE SAMPLING WITH REPLICA
EXCHANGE WITH SOLUTE TEMPERING (REST2) THROUGH A GENERIC
IMPLEMENTATION IN NAMD.
Wei Jiang
, Sunhwan Jo
3166-Pos
Board B543
IMPROVED ESTIMATION OF LONG-TIME KINETICS USING NON-MARKOV-
IAN ANALYSIS OF TRAJECTORY SEGMENTS: APPLICATION TO PROTEIN
FOLDING AND UNFOLDING.
Ernesto Suarez
, Daniel M. Zuckerman
3167-Pos
Board B544
HDGB IMPLICIT MEMBRANE MODEL WITH A VAN DER WAALS DISPER-
SION TERM.
Bercem Dutagaci
, Maryam Sayadi, Michael Feig
3168-Pos
Board B545
OBTAINING BINDING FREE ENERGY FROM A PATH SAMPLING WITHOUT
FORCE BIAS.
Duy Phuoc Tran
, Akio Kitao
3169-Pos
Board B546
A MULTISCALE APPROACH TO UNDERSTANDING PROTEIN LIGAND BIND-
ING PROCESS.
Tohru Terada
, Tatsuki Negami, Kentaro Shimizu
3170-Pos
Board B547
HOW TO EASILY EXTRACT PHYSICAL PROPERTIES FROMMD SIMULA-
TIONS OF LIPID MEMBRANES WITH FATSLIM.
Sebastien Buchoux
3171-Pos
Board B548
A RIEMANNIAN FRAMEWORK FOR TACKLING LARGE-SCALE CONFORMA-
TIONAL CHANGES OF PROTEINS USING ALL-ATOMMOLECULAR DYNAM-
ICS SIMULATIONS.
Mahmoud Moradi
3172-Pos
Board B549
ESTIMATING THE RUGGEDNESS OF PROTEIN FREE ENERGY LANDSCAPES
FROMMOLECULAR DYNAMICS SIMULATIONS.
Andreas Volkhardt
,
Helmut Grubmüller
3173-Pos
Board B550
ON THE EFFECT OF MAPPING IN THE COARSE GRAINING OF ELASTIC NET-
WORKS.
Patrick M. Diggins
, Changjiang Liu, Potestio Raffaello, Markus
Deserno
3174-Pos
Board B551
A QUANTITATIVE COARSE-GRAINED MODEL OF SUGARS.
James A.
Graham
, Syma Khalid, Jonathan Essex
3175-Pos
Board B552
EXPLORING N-GLYCAN CONFORMERS: ASSESSMENT OF ENHANCED SAM-
PLING ALGORITHMS.
Raimondas Galvelis
, Suyong Re, Yuji Sugita
3176-Pos
Board B553
EXTENDING THE ADRESS MULTISCALE SCHEME FOR PROTEIN AND BI-
LAYER APPLICATIONS.
Manuel N. Melo
, Julija Zavadlav, Matej Praprotnik,
Siewert J. Marrink
3177-Pos
Board B554
UNIVERSAL METRICS OF INTERSTRUCTURE DISTANCE FOR FLEXIBLE AND
INTRINSICALLY DISORDERED PROTEINS.
Timothy G. Connolly
, David
Ando, Shawn D. Newsam, Ajay Gopinathan, Michael E. Colvin
3178-Pos
Board B555
CID TRAVEL AWARDEE
STRUCTURAL-FUNCTION STUDY OF MEMBRANE PROTEINS WITH RE-
STRAINED-ENSEMBLE AND DUMMY SPIN-LABEL MOLECULAR DYNAMICS
SIMULATIONS.
Shahidul M. Islam
, Giacomo Florin, Yifei Qi, Rong Shen,
Wei Han, Richard A. Stein, Klaus Schulten, Hassane S. Mchaourab, Wonpil
Im, Benoit Roux
3179-Pos
Board B556
PEPTIDE BOND ISOMERIZATION IN HIGH-TEMPERATURE SIMULA-
TIONS.
Chris Neale
, Régis Pomès, Angel E. García
3180-Pos
Board B557
MECHANICAL ASPECTS OF PROTEIN THERMOSTABILITY.
Guillaume
Stirnemann
, Fabio Sterpone
3181-Pos
Board B558
MD MODELING OF OXIDATIVE FOLDING IN PEPTIDES AND PROTEINS.
Sergei A. Izmailov
, Ivan S. Podkorytov, Nikolai R. Skrynnikov
3182-Pos
Board B559
SEQUENCE-SPECIFIC BINDING AND DIFFUSION OF TRF1 ON TELOMERIC
DNA STUDIED BY MOLECULAR DYNAMICS.
Milosz Wieczor
, Jacek Czub
3183-Pos
Board B560
SIMULATION STUDIES OF TWIST-STRETCH COUPLING IN NUCLEIC AC-
IDS.
Anupam Chatterjee
3184-Pos
Board B561
SOLVATION STRUCTURE AND QUASIDYNAMICS OF BIOMOLECULES
STEERED WITH EFFECTIVE SOLVATION FORCES OBTAINED FROMMO-
LECULAR THEORY OF SOLVATION.
Andriy Kovalenko
3185-Pos
Board B562
EFFECT OF DMSO ON WATER MOLECULES NEAR PHOSPHOLIPID BILAYER
SURFACES.
Yuno Lee
, Changbong Hyeon