161
Biophysical Society 58
th
Annual Meeting, San Francisco, California
T
U
E
S
D
A
Y
3071-P
os
B
oard
#B763
IDENTIFYING LOCAL REGIONS OF ORDER AND DISORDER
IN FG-NUCLEOPORINS AND PARTIALLY DISORDERED
PROTEINS USING MOLECULAR DYNAMICS SIMULATIONS.
Timothy G. Connolly
, David Ando, Robert L. Wang, Ajay Gopinathan,
Shawn D. Newsam, Michael E. Colvin
3072-P
os
B
oard
#B764
HOW STRUCTURAL FLUCTUATIONS OF THE ATP POCKET
INFLUENCE THE CATALYTIC CYCLE OF FAK.
Florian Herzog
,
Vogel Viola
3073-P
os
B
oard
#B765
MOLECULAR DYNAMICS SIMULATIONS OF LASER-INDUCED
AND PH-INDUCED UNFOLDING IN
β
-LACTOGLOBULIN AT
DIFFERENT HYDRATION LEVELS.
James E. Parker
,
Aaron F. Hoffman, Robert J. Thomas, Lorenzo Brancaleon
3074-P
os
B
oard
#B766
IN SILICO DYNAMICS OF CARBON MONOXIDE IN THE
ACTIVE SITE POCKET OF NITROGENASE.
Leland B. Gee
,
Igor Leontyev, Stephen P. Cramer
3075-P
os
B
oard
#B767
STUDYING THE EFFECTS OF METHIONINE OXIDATION ON
HUMAN FIBRIN WITH MULTISCALE SIMULATIONS.
Patrick R. Burney
, Jim Pfaendtner
3076-P
os
B
oard
#B768
DATABASE GUIDED EXPLORATION TO DETERMINE NATIVE
LIGANDS FOR ORPHANED ODORANT RECEPTORS.
Sarana Nutanong, Kyle Wong, Yanif Ahmad, Jen Pluznick,
Blythe Shepard,
Thomas B. Woolf
3077-P
os
B
oard
#B769
PROBING DIFFUSIVE AND ENERGETIC ASPECTS OF RIBOSOME
FUNCTION. Jeff K. Noel, Vitor B.P. Leite, Jorge Chahine,
Paul C.Whitford
3078-P
os
B
oard
#B770
PROTEIN-LIGAND BINDING SIMULATIONWITHTHE MARTINI
COARSE-GRAINED FORCE FIELD.
Tatsuki Negami
,
Kentaro Shimizu, Tohru Terada
3079-P
os
B
oard
#B771
LOCAL DYNAMICS OF FRET DYES IN AN INTRINSICALLY
DISORDERED PROTEIN STUDIED BY MD SIMULATIONS.
Reinhard Klement
, Helmut Grubmueller
3080-P
os
B
oard
#B772
COMPARISON OF SIDE-CHAIN MOTION OF CALBINDIN D-9K
IN ITS FOUR CALCIUM BINDING STATES BY MOLECULAR
DYNAMICS SIMULATION.
Mahendra B. Thapa
, Mark Rance
3081-P
os
B
oard
#B773
AN ALLOSTERIC SIGNALING PATHWAY OF HUMAN
3-PHOSPHOGLYCERATE KINASE. Zoltan Palmai, Christian Seifert,
Frauke Gräter,
Erika Balog
3082-P
os
B
oard
#B774
ENHANCED SAMPLING OF THE CATALYTIC DOMAIN OF
THE ADENYL CYCLASE CYAA FROM BORDETELLA
PERTUSSIS.
Isidro Cortes Ciriano
, Guillaume Bouvier, Michael Nilges,
Luca Maragliano, Therese E Malliavin
3083-P
os
B
oard
#B775
SYNTHESIS AND MODELING OF NOVEL
α
-AMINOALKYLPHOSPHONATE ESTER DERIVATIVES AS PO-
TENT INHIBITORS OF PROSTATE-SPECIFIC ANTIGEN;
A COMPARISON STUDY.
Arben Kojtari
, Haifeng Ji
3084-P
os
B
oard
#B776
MOLECULAR DYNAMICS STUDIES: THE EFFECT OF
PHOSPHORYLATION IN SACCHARIDE TRANSPORTER SYSTEM.
Jumin Lee
, Wonpil Im
3085-P
os
B
oard
#B777
COMPARISON OF METRICS OF INTER-STRUCTURE DISTANCE
WHEN APPLIED TO MOLECULAR DYNAMICS SIMULATIONS
OF INTRINSICALLY DISORDERED PROTEINS.
Robert L. Wang
,
Timothy G. Connolly, Joshua L. Phillips, Amanda V. Miguel,
Ajay Gopinathan, Shawn D. Newsam, Michael E. Colvin
3086-P
os
B
oard
#B778
MOLECULAR DYNAMICS-BASED PREDICTIONS OF THE
STRUCTURAL AND FUNCTIONAL DIFFERENCES BETWEEN
THE CARDIAC AND NOVEL SLOW-SKELETAL ISOFORMS OF
ZEBRAFISH TROPONIN C.
Charles M. Stevens
, Christine E. Genge,
Cindy Li, Glen F. Tibbits
3087-P
os
B
oard
#B779
HIGH PRESSURE EFFECT ON A HELICAL PEPTIDE STUDIED
BY SIMULATED TEMPERING MOLECULAR DYNAMICS
SIMULATIONS.
Yoshiharu Mori
, Hisashi Okumura
3088-P
os
B
oard
#B780
CONSTANT DOMAIN OF FAB FRAGMENT AFFECTS ANTI-
GEN BINDING OF ANTIBODIES: MOLECULAR DYNAMICS
STUDY.
Keiko Shinoda
, Hideaki Fujitani
3089-P
os
B
oard
#B781
A SMALL CHEMICAL MIMICKING ACTIN BINDING TO MYO-
SIN AND PUTATIVE STRUCTURAL CHANGES OF MYOSIN
MOLECULE UPON LIGAND BINDING.
Takayuki Miyanishi
,
IO Omotuyi, Taku Yamaguchi
3090-P
os
B
oard
#B782
FREE ENERGY SIMULATIONS FOR THE CONFORMATIONAL
CHANGE OF THE
αβ
SUBUNITS IN F
1
-ATPASE AFTER THE ATP
HYDROLYSIS.
Yuko Ito
, Mitsunori Ikeguchi
3091-P
os
B
oard
#B783
MOLECULAR DYNAMICS STUDY OF CONSERVED WATER
MOLECULES IN PRPC AND PATHOLOGICAL POINT
MUTATION T188R.
Katsufumi Tomobe
, Eiji Yamamoto,
Takuma Akimoto, Masato Yasui, Kenji Yasuoka
3092-P
os
B
oard
#B784
CHARACTERISATION OF THE PRION PROTEIN OLIGOM-
ERISATION BY MD SIMULATIONS AND SMALL ANGLE X-RAY
SCATTERING.
Nesrine Chakroun
, Stéphanie Prigent, Human Rezaei,
Marc Malfois, Cécile A. Dreiss
3093-P
os
B
oard
#B785
ACCELERATE LATERAL EQUILIBRATION IN MIXED LIPID
BILAYERS USING REPLICA EXCHANGE WITH SOLUTE
TEMPERING.
Kun Huang
, Angel E. Garcia
CD and Vibrational Spectroscopy
(Boards #B786–#B794)
3094-P
os
B
oard
#B786
ION-PROTEIN INTERACTION IN CHANNEL AND PUMP
PROTEINS STUDIED BY FTIR SPECTROSCOPY.
Yuji Furutani
3095-P
os
B
oard
#B787
MEASURING PROTEIN DYNAMICS AND MECHANISM USING
INFRARED SPECTROSCOPY.
Curtis W. Meuse
