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ORCIDSergei Yu Noskov
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Journal Articles
- 2021
[j11]Kuo-Hao Lee, Andrew D. Fant, Jiqing Guo, Andy Guan, Joslyn Jung, Mary Kudaibergenova, Williams E. Miranda, Therese Ku, Jianjing Cao, Soren Wacker
, Henry J. Duff, Amy Hauck Newman, Sergei Yu Noskov, Lei Shi:
Toward Reducing hERG Affinities for DAT Inhibitors with a Combined Machine Learning and Molecular Modeling Approach. J. Chem. Inf. Model. 61(9): 4266-4279 (2021)- 2020
- [j10]Hristina R. Zhekova, Toshie Sakuma, Ryan Johnson, Susanna C. Concilio, Patrycja J. Lech, Igor Zdravkovic, Mirna Damergi, Lukkana Suksanpaisan, Kah-Whye Peng, Stephen J. Russell, Sergei Yu Noskov:
Mapping of Ion and Substrate Binding Sites in Human Sodium Iodide Symporter (hNIS). J. Chem. Inf. Model. 60(3): 1652-1665 (2020) - [j9]Mahdi Mousaei, Meruyert Kudaibergenova, Alexander D. MacKerell Jr., Sergei Yu Noskov:
Assessing hERG1 Blockade from Bayesian Machine-Learning-Optimized Site Identification by Ligand Competitive Saturation Simulations. J. Chem. Inf. Model. 60(12): 6489-6501 (2020) - 2016
- [j8]Van Ngo, Yibo Wang, Stephan Haas, Sergei Yu Noskov, Robert A. Farley:
K+ Block Is the Mechanism of Functional Asymmetry in Bacterial Nav Channels. PLoS Comput. Biol. 12(1) (2016) - 2015
- [j7]Pablo M. De Biase, Suren Markosyan, Sergei Yu Noskov:
BROMOC suite: Monte Carlo/Brownian dynamics suite for studies of ion permeation and DNA transport in biological and artificial pores with effective potentials. J. Comput. Chem. 36(4): 264-271 (2015) - [j6]Williams E. Miranda, Sergei Yu Noskov, Pedro A. Valiente:
Improving the LIE Method for Binding Free Energy Calculations of Protein-Ligand Complexes. J. Chem. Inf. Model. 55(9): 1867-1877 (2015) - 2014
- [j5]Pablo M. De Biase, Suren Markosyan, Sergei Yu Noskov:
Microsecond simulations of DNA and ion transport in nanopores with novel ion-ion and ion-nucleotides effective potentials. J. Comput. Chem. 35(9): 711-721 (2014) - 2013
- [j4]Chunfeng Zhao, Sergei Yu Noskov:
The Molecular Mechanism of Ion-Dependent Gating in Secondary Transporters. PLoS Comput. Biol. 9(10) (2013) - 2012
- [j3]Serdar Durdagi, Sumukh Deshpande, Henry J. Duff, Sergei Yu Noskov:
Modeling of Open, Closed, and Open-Inactivated States of the hERG1 Channel: Structural Mechanisms of the State-Dependent Drug Binding. J. Chem. Inf. Model. 52(10): 2760-2774 (2012) - 2011
- [j2]Serdar Durdagi, Henry J. Duff, Sergei Yu Noskov:
Combined Receptor and Ligand-Based Approach to the Universal Pharmacophore Model Development for Studies of Drug Blockade to the hERG1 Pore Domain. J. Chem. Inf. Model. 51(2): 463-474 (2011) - 2010
- [j1]Bogdan Lev, Rui Zhang, Aurélien de la Lande, Dennis R. Salahub, Sergei Yu Noskov:
The QM-MM interface for CHARMM-deMon. J. Comput. Chem. 31(5): 1015-1023 (2010)
Coauthor Index
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