Molecular determinants of pro-arrhythmia proclivity of d- and l-sotalol via a multi-scale modeling pipeline
DeMarco, Kevin R., Yang, Pei-Chi, Singh, Vikrant, Furutani, Kazuharu, Dawson, John R.D., Jeng, Mao-Tsuen, Fettinger, James C., Bekker, Slava, Ngo, Van A., Noskov, Sergei Y., Yarov-Yarovoy, Vladimir, Sack, Jon T., Wulff, Heike, Clancy, Colleen E., Vorobyov, Igor
Published in Journal of molecular and cellular cardiology (01.09.2021)
Published in Journal of molecular and cellular cardiology (01.09.2021)
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A Computational Pipeline to Predict Cardiotoxicity: From the Atom to the Rhythm
Yang, Pei-Chi, DeMarco, Kevin R, Aghasafari, Parya, Jeng, Mao-Tsuen, Dawson, John R.D, Bekker, Slava, Noskov, Sergei Y, Yarov-Yarovoy, Vladimir, Vorobyov, Igor, Clancy, Colleen E
Published in Circulation research (10.04.2020)
Published in Circulation research (10.04.2020)
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Elucidation of a dynamic interplay between beta-adrenergic receptors, its agonists, and stimulatory G protein
Han, Yanxiao, Dawson, John R.D., DeMarco, Kevin, Rouen, Kyle, Ngo, Khoa, Bekker, Borislava, Yarov-Yarovoy, Vladimir, Clancy, Colleen E., Xiang, Yang K., Ahn, Surl-Hee, Vorobyov, Igor V.
Published in Biophysical journal (08.02.2024)
Published in Biophysical journal (08.02.2024)
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Journal Article
Atomistic Modeling of Neuro-cardiovascular Coupling Modulation
DeMarco, Kevin R., Dawson, John R.D., Bekker, Slava, Yarov-Yarovoy, Vladimir, Clancy, Colleen E., Vorobyov, Igor
Published in Biophysical journal (07.02.2020)
Published in Biophysical journal (07.02.2020)
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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)
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Modeling state-dependent and stereospecific interactions of beta-blockers with the beta-adrenergic receptor for multiscale modeling
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 (11.02.2022)
Published in Biophysical journal (11.02.2022)
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Exploring drug arrythmogenicity via atomistic simulations of state-specific hERG-channel block
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 (11.02.2022)
Published in Biophysical journal (11.02.2022)
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Journal Article
The Therapeutic Landscape of Rheumatoid Arthritis: Current State and Future Directions
Shams, Shahin, Martinez, Joseph M, Dawson, John R D, Flores, Juan, Gabriel, Marina, Garcia, Gustavo, Guevara, Amanda, Murray, Kaitlin, Pacifici, Noah, Vargas, Maxemiliano V, Voelker, Taylor, Hell, Johannes W, Ashouri, Judith F
Published in Frontiers in pharmacology (28.05.2021)
Published in Frontiers in pharmacology (28.05.2021)
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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
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 (10.02.2023)
Published in Biophysical journal (10.02.2023)
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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)
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Journal Article
Elucidation of a dynamic interplay between a beta-2 adrenergic receptor, its agonist, and stimulatory G protein
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 (07.03.2023)
Published in Proceedings of the National Academy of Sciences - PNAS (07.03.2023)
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Journal Article
Multiscale modeling of sympathetic cardiovascular stimulation
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 (11.02.2022)
Published in Biophysical journal (11.02.2022)
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Journal Article
A multiscale predictive digital twin for neurocardiac modulation
Yang, Pei‐Chi, Rose, Adam, DeMarco, Kevin R., Dawson, John R. D., Han, Yanxiao, Jeng, Mao‐Tsuen, Harvey, Robert D., Santana, L. Fernando, Ripplinger, Crystal M., Vorobyov, Igor, Lewis, Timothy J., Clancy, Colleen E.
Published in The Journal of physiology (01.09.2023)
Published in The Journal of physiology (01.09.2023)
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