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Elucidating molecular mechanisms of protoxin-II state-specific binding to the human NaV1.7 channel
by
Ngo, Khoa
,
Lopez Mateos, Diego
,
Han, Yanxiao
,
Rouen, Kyle C
,
Ahn, Surl-Hee
,
Wulff, Heike
,
Clancy, Colleen E
,
Yarov-Yarovoy, Vladimir
,
Vorobyov, Igor
Published in
The Journal of general physiology
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Molecular simulations of state-specific drug interactions with multiple cardiac ion channels to reveal mechanisms of arrhythmogenesis
by
Rouen, Kyle C.
,
Ngo, Khoa
,
Kognole, Abhishek A.
,
Goel, Himanshu
,
Orr, Asuka
,
Kumar, Anmol
,
Emigh Cortez, Aiyana
,
Maly, Jan
,
Yarov-Yarovoy, Vladimir
,
MacKerell, Alexander D.
,
Vorobyov, Igor
Published in
Biophysical journal
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Elucidation of a dynamic interplay between a beta-2 adrenergic receptor, its agonist, and stimulatory G protein
by
Han, Yanxiao
,
Dawson, John R D
,
DeMarco, Kevin R
,
Rouen, Kyle C
,
Bekker, Slava
,
Yarov-Yarovoy, Vladimir
,
Clancy, Colleen E
,
Xiang, Yang K
,
Vorobyov, Igor
Published in
Proceedings of the National Academy of Sciences - PNAS
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Abstract 15504: High-Throughput Assessment of Molecular Mechanisms of Drug-Induced Arrhythmia Proclivities and Their Sex Dependence
by
Rouen, Kyle C
,
Ngo, Khoa
,
Kognole, Abhishek
,
Dawson, John
,
Emigh, Aiyana
,
Bekker, Slava
,
Yarov-Yarovoy, Vladimir
,
MacKerell, Alexander D
,
Vorobyov, Igor
Published in
Circulation (New York, N.Y.)
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Modeling state-dependent and stereospecific interactions of beta-blockers with the beta-adrenergic receptor for multiscale modeling
by
Dawson, John R.D.
,
Rouen, Kyle C.
,
Han, Yanxiao
,
Hernandez Hernandez, Gonzalo
,
Yang, Pei-Chi
,
Bekker, Borislava
,
Clancy, Colleen E.
,
Vorobyov, Igor
Published in
Biophysical journal
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Multi-Scale modeling of state-dependent drug binding to the hERG channel
by
Ngo, Khoa
,
Rouen, Kyle C.
,
Dawson, John R.D.
,
Emigh Cortez, Aiyana M.
,
Lopez Mateos, Diego
,
Maly, Jan
,
DeMarco, Kevin
,
Yarov-Yarovoy, Vladimir
,
Vorobyov, Igor
,
Clancy, Colleen E.
Published in
Biophysical journal
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Exploring drug arrythmogenicity via atomistic simulations of state-specific hERG-channel block
by
Rouen, Kyle C.
,
Ngo, Khoa
,
Kognole, Abhishek A.
,
Dawson, John R.D.
,
Bekker, Borislava
,
Yarov-Yarovoy, Vladimir
,
MacKerell, Alexander D.
,
Vorobyov, Igor
Published in
Biophysical journal
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Elucidation of a dynamic interplay between guanine nucleotide and the ternary complex of a beta-adrenergic receptor, its agonist and stimulatory G protein
by
Han, Yanxiao
,
Dawson, John R.D.
,
DeMarco, Kevin
,
Rouen, Kyle
,
Ngo, Khoa
,
Bekker, Borislava
,
Yarov-Yarovoy, Vladimir
,
Clancy, Colleen E.
,
Xiang, Yang K.
,
Vorobyov, Igor V.
Published in
Biophysical journal
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Computational assessment of molecular mechanisms underlying hERG K+ channel conduction and affinity for drug binding
by
Ngo, Khoa
,
Rouen, Kyle
,
Dawson, John R.D.
,
DeMarco, Kevin
,
Emigh Cortez, Aiyana M.
,
Maly, Jan
,
Lopez Mateos, Diego
,
Yarov-Yarovoy, Vladimir
,
Clancy, Colleen E.
,
Vorobyov, Igor V.
Published in
Biophysical journal
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Multiscale modeling of sympathetic cardiovascular stimulation
by
Han, Yanxiao
,
Hernandez-Hernandez, Gonzalo
,
Yang, Pei-Chi
,
Dawson, John R.D.
,
DeMarco, Kevin R.
,
Rouen, Kyle C.
,
Ngo, Khoa
,
Bekker, Slava
,
Yarov-Yarovoy, Vladimir
,
Clancy, Colleen E.
,
Vorobyov, Igor V.
Published in
Biophysical journal
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