206
Biophysical Society 58
th
Annual Meeting, San Francisco, California
4047-P
os
B
oard
#B775
EFFECTS OF DIACYLGLYCEROLS (DAGS) AND ARACHIDONIC
ACID (AA) ON THE PHYSICAL PROPERTIES OF MODEL
LIPID BILAYERS: A MOLECULAR DYNAMICS SIMULATIONS
STUDY.
Ioannis Beis
, Matti Weckström, André Juffer, Marja Hyvönen
4048-P
os
B
oard
#B776
MOLECULAR DYNAMICS SIMULATIONS OF COLLOIDS IN
SINGLE SOLID-STATE NANOPORES.
Nazar Ileri
,
Matthew Davenport, Sonia E. Letant, Joseph W. Tringe
4049-P
os
B
oard
#B777
EXPLORING DYNAMIC EVENTS OF BACTERIAL
MICROCOMPARTMENT SHELL PORES.
Sunny Chun
, Jiyong Park,
Michael C. Thompson, Changsun Eun, J Andrew McCammon,
Kendall N. Houk, Todd O. Yeates
4050-P
os
B
oard
#B778
ALL-ATOMS MD SIMULATION OF PROTEIN TRANSLOCATION
THROUGH
α
-HEMOLYSIN NANOPORE: IMPLICATIONS FOR
PROTEIN SEQUENCE/STRUCTURAL ANALYSES.
Daniele Di Marino
, Anna Tramontano, Mauro Chinappi
4051-P
os
B
oard
#B779
COARSE-GRAINED MODELING OF DNA-VESICLE SYSTEMS
WITH THE MARTINI FORCE FIELD.
Jaakko Uusitalo
,
Helgi I. Ingólfsson, Parisa Akhshi, D. Peter Tieleman, Bert Poolman,
Andreas Herrmann, Siewert J. Marrink
4052-P
os
B
oard
#B780
REFINEMENT OF MULTISITE ION MODEL THROUGH
SIMULATION OF OSMOTIC PRESSURE: APPLICATIONS ON
ION-MEDIATED CALCULATIONS OF SSRNA.
Akansha Saxena
,
Angel E. Garcia
4053-P
os
B
oard
#B781
A MOLECULAR DYNAMICS SIMULATION STUDY ON THE
EFFECT OF ENDOGENOUS MOLECULES ON SIRNA
POLYPLEXES.
Deniz Meneksedag
, Tian Tang, Hasan Uludag
4054-P
os
B
oard
#B782
NOVEL COARSE-GRAINED MODEL FOR MOLECULAR
DYNAMICS SIMULATIONS OF DNA.
Aleksandra Karolak
,
Arjan van der Vaart
4055-P
os
B
oard
#B783
INVESTIGATING THE FOLDING DYNAMICS OF RNA
PSEUDOKNOT STRUCTURAL MOTIF VIA MASSIVELY
PARALLEL MOLECULAR DYNAMICS.
Amethyst Radcliffe
,
Samantha Cao, Benjamin Pham, Phuc La, Richard Wang, Eric Sorin
4056-P
os
B
oard
#B784
HIERARCHICAL FOLDING OF THE RRNA IN THE EARLY
ASSEMBLY OF THE E. COLI RIBOSOMAL SMALL SUBUNIT.
Jonathan Lai
, Ke Chen, Hajin Kim, Taejkip Ha, Zaida Luthey-Schulten
Computational Methods II
(Boards #B785–#B816)
4057-P
os
B
oard
#B785
LIGAND BINDING PATHWAYS AND TRANSITIONS IN A
GLUTAMATE RECEPTOR.
Alvin Yu
, Albert Lau
4058-P
os
B
oard
#B786
A THERMODYNAMIC DISCRIMINATION OF EFFICACY OF
GPCR LIGANDS USING ABSOLUTE BINDING FREE ENERGY
CALCULATIONS.
Hui Sun Lee
, Wonpil Im
4059-P
os
B
oard
#B787
SIMULATING CURRENT-VOLTAGE RELATIONSHIPS FOR A
SIMPLE ION CHANNEL WITH ALL-ATOM RESOLUTION
USING THE WEIGHTED ENSEMBLE METHOD.
Joshua L. Adelman
, Michael Grabe
4060-P
os
B
oard
#B788
PRINCIPAL COMPONENT ANALYSIS OF GLUTAMATE
RECEPTOR LIGAND BINDING DOMAINS.
John Belcher
,
Yongneng Yao, Anthony J. Berger, Mark L. Mayer, Albert Lau
4061-P
os
B
oard
#B789
QUANTITATIVE CHARACTERIZATION OF MEMBRANE
PROTEIN-LIPID INTERACTIONS.
Soohyung Park
, Wonpil Im
4062-P
os
B
oard
#B790
EFFECT OF SEROTONIN ON MEMBRANES PROPERTIES
STUDIED BY MOLECULAR DYNAMICS SIMULATIONS.
Hubert Santuz, Slim Azouzi, Pascal Amireault,
Catherine Etchebest
4063-P
os
B
oard
#B791
international
travel
awardee
ANALYSIS OF MEMBRANE TRANSLOCATION SIMULATIONS
USING DIMENSIONALITY REDUCTION.
Begum Alaybeyoglu
,
Elif Ozkirimli
4064-P
os
B
oard
#B792
COMPUTATIONAL APPROACHES TO UNDERSTANDING THE
ROLE OF OXIDIZED TRI-ACLYGLYCEROLS IN SUPPRESSION
OF ANTIGEN CROSS-PRESENTATION IN CANCER.
Dariush Mohammadyani
, Vladimir A. Tyurin, Andrew A. Amoscato,
Dmitry I. Gabrilovich, Judith Klein-Seetharaman, Valerian E. Kagan
4065-P
os
B
oard
#B793
A SOFTWARE PLATFORM FOR FINITE ELEMENT SIMULATION
OF ION PERMEATION IN ION CHANNEL SYSTEMS.
Benzhuo Lu
4066-P
os
B
oard
#B794
HETEROGENEITY OF THREADLIKE SHAPE OF DNA-STABI-
LIZED SILVER FLUORESCENT CLUSTERS.
Ruslan R. Ramazanov
,
Alexei I. Kononov
4067-P
os
B
oard
#B795
IN SILICO SINGLE-MOLECULE MANIPULATION OF
CHROMATIN FIBRES WITH GAME ENGINES. Pascal Carrivain,
Maria Barbi,
Jean-Marc Victor
4068-P
os
B
oard
#B796
INTERPOLATION OF POTENTIAL ENERGY SURFACES FOR
NONADIABATIC SIMULATIONS OF BIOLOGICAL SYSTEMS.
Jae Woo Park
, Young Min Rhee
4069-P
os
B
oard
#B797
MIXED QUANTUM-CLASSICAL STUDY OF THE
NONADIABATIC DYNAMICS IN PHOTOSYNTHETIC
SYSTEMS.
Hyun Woo Kim
, Young Min Rhee
4070-P
os
B
oard
#B798
COMPUTATIONAL STUDIES OF THE CATALYTIC
MECHANISM OF THE STAPHYLOCOCCUS AUREUS
SORTASE A ENZYME.
Pooja Shrestha
, Jeff Wereszczynski
4071-P
os
B
oard
#B799
INVESTIGATIONS OF MODEL PROTON-COUPLED
ELECTRON TRANSFER REACTIONS FROM A MIXED
QUANTUM-CLASSICAL LIOUVILLE PERSPECTIVE.
Farnaz Shakib,
Gabriel Hanna
