Structural modeling of the hERG potassium channel and associated drug interactions
Maly, Jan, Emigh, Aiyana M, DeMarco, Kevin R, Furutani, Kazuharu, Sack, Jon T, Clancy, Colleen E, Vorobyov, Igor, Yarov-Yarovoy, Vladimir
Published in Frontiers in pharmacology (16.09.2022)
Published in Frontiers in pharmacology (16.09.2022)
Get full text
Journal Article
Structural modeling of hERG channel-drug interactions using Rosetta
Emigh Cortez, Aiyana M, DeMarco, Kevin R, Furutani, Kazuharu, Bekker, Slava, Sack, Jon T, Wulff, Heike, Clancy, Colleen E, Vorobyov, Igor, Yarov-Yarovoy, Vladimir
Published in Frontiers in pharmacology (14.11.2023)
Published in Frontiers in pharmacology (14.11.2023)
Get full text
Journal Article
Disruption of protein quality control of the human ether-à-go-go related gene K+ channel results in profound long QT syndrome
Ledford, Hannah A., Ren, Lu, Thai, Phung N., Park, Seojin, Timofeyev, Valeriy, Sirish, Padmini, Xu, Wilson, Emigh, Aiyana M., Priest, James R., Perez, Marco V., Ashley, Euan A., Yarov-Yarovoy, Vladimir, Yamoah, Ebenezer N., Zhang, Xiao-Dong, Chiamvimonvat, Nipavan
Published in Heart rhythm (01.02.2022)
Published in Heart rhythm (01.02.2022)
Get full text
Journal Article
A wrench in the works of human acetylcholinesterase: soman induced conformational changes revealed by molecular dynamics simulations
Bennion, Brian J, Essiz, Sebnem G, Lau, Edmond Y, Fattebert, Jean-Luc, Emigh, Aiyana, Lightstone, Felice C
Published in PloS one (13.04.2015)
Published in PloS one (13.04.2015)
Get full text
Journal Article
Computational assessment of molecular mechanisms underlying hERG K+ channel conduction and affinity for drug binding
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 (10.02.2023)
Published in Biophysical journal (10.02.2023)
Get full text
Journal Article
Abstract 15504: High-Throughput Assessment of Molecular Mechanisms of Drug-Induced Arrhythmia Proclivities and Their Sex Dependence
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.) (08.11.2022)
Published in Circulation (New York, N.Y.) (08.11.2022)
Get full text
Journal Article
Structural Modeling of hERG Channel Interactions with Drugs using Rosetta
Emigh, Aiyana M., DeMarco, Kevin R., Furutani, Kazuharu, Bekker, Slava, Sack, Jon T., Clancy, Colleen E., Vorobyov, Igor, Yarov-Yarovoy, Vladimir
Published in Biophysical journal (02.02.2018)
Published in Biophysical journal (02.02.2018)
Get full text
Journal Article
Ring Finger Protein 207 Degrades T613M Kv11.1 Channel
Ledford, Hannah A., Park, Seojin, Sirish, Padmini, Emigh, Aiyana M., Xu, Wilson, Timofeyev, Valeriy, Priest, James R., Perez, Marco V., Ashley, Euan A., Yarov-Yarovoy, Vladimir, Zhang, Xiao-Dong, Chiamvimonvat, Nipavan
Published in Biophysical journal (02.02.2018)
Published in Biophysical journal (02.02.2018)
Get full text
Journal Article
A Wrench in the Works of Human Acetylcholinesterase: Soman Induced Conformational Changes Revealed by Molecular Dynamics Simulations
Bennion, Brian J., Essiz, Sebnem G., Lau, Edmond Y., Fattebert, Jean-Luc, Emigh, Aiyana, Lightstone, Felice C.
Published in PloS one (13.04.2015)
Get full text
Published in PloS one (13.04.2015)
Journal Article
Predicting arrhythmogenicity: structural modeling of safe and unsafe hERG blockers using Rosetta
Emigh Cortez, Aiyana, DeMarco, Kevin, Furutani, Kazuharu, Sack, Jon T., Clancy, Colleen E., Vorobyov, Igor V., Yarov-Yarovoy, Vladimir
Published in Biophysical journal (11.02.2022)
Published in Biophysical journal (11.02.2022)
Get full text
Journal Article
Multi-Scale modeling of state-dependent drug binding to the hERG channel
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 (11.02.2022)
Published in Biophysical journal (11.02.2022)
Get full text
Journal Article
Molecular simulations of state-specific drug interactions with multiple cardiac ion channels to reveal mechanisms of arrhythmogenesis
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 (10.02.2023)
Published in Biophysical journal (10.02.2023)
Get full text
Journal Article