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Journal of Biomolecular Structure and Dynamics Volume 40, 2022 - Issue 13
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Research Articles

Molecular dynamics of hERG channel: insights into understanding the binding of small molecules for detuning cardiotoxicity

Shruti Koulgia High Performance Computing - Medical and Bioinformatics Applications Group, Centre for Development of Advanced Computing, Panchawati, Pashan, Pune
,
Vinod Jania High Performance Computing - Medical and Bioinformatics Applications Group, Centre for Development of Advanced Computing, Panchawati, Pashan, Pune
,
Vinay Nair
,
Jagmohan S. Sainib Novel Drug Discovery and Development, Lupin Research Park, Pune, India
,
Samiron Phukanb Novel Drug Discovery and Development, Lupin Research Park, Pune, IndiaCorrespondence[email protected]
,
Uddhavesh Sonavanea High Performance Computing - Medical and Bioinformatics Applications Group, Centre for Development of Advanced Computing, Panchawati, Pashan, Pune
,
Rajendra Joshia High Performance Computing - Medical and Bioinformatics Applications Group, Centre for Development of Advanced Computing, Panchawati, Pashan, Pune
,
Raj Kambojb Novel Drug Discovery and Development, Lupin Research Park, Pune, India
&
Venkata Palleb Novel Drug Discovery and Development, Lupin Research Park, Pune, India
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Pages 5996-6012 | Received 10 Aug 2020, Accepted 08 Jan 2021, Published online: 26 Jan 2021

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Nilima Rani Das, Tripti Sharma, Andrey A. Toropov, Alla P. Toropova, Manish Kumar Tripathi & P. Ganga Raju Achary. (2023) Machine-learning technique, QSAR and molecular dynamics for hERG–drug interactions. Journal of Biomolecular Structure and Dynamics 0:0, pages 1-26.
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Articles from other publishers (1)

Teresa Maria Creanza, Pietro Delre, Nicola Ancona, Giovanni Lentini, Michele Saviano & Giuseppe Felice Mangiatordi. (2021) Structure-Based Prediction of hERG-Related Cardiotoxicity: A Benchmark Study. Journal of Chemical Information and Modeling 61:9, pages 4758-4770.
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