Sergei Yu Noskov

11 papers Journal 11
YearRankTypeTitle / Venue / Authors
2021 J jnl
Toward Reducing hERG Affinities for DAT Inhibitors with a Combined Machine Learning and Molecular Modeling Approach.
J. Chem. Inf. Model.
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
2020 J jnl
Assessing hERG1 Blockade from Bayesian Machine-Learning-Optimized Site Identification by Ligand Competitive Saturation Simulations.
J. Chem. Inf. Model.
Mahdi Mousaei, Meruyert Kudaibergenova, Alexander D. MacKerell Jr., Sergei Yu Noskov
2020 J jnl
Mapping of Ion and Substrate Binding Sites in Human Sodium Iodide Symporter (hNIS).
J. Chem. Inf. Model.
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
2016 J jnl
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PLoS Comput. Biol.
Van Ngo, Yibo Wang, Stephan Haas, Sergei Yu Noskov, Robert A. Farley
2015 J jnl
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.
Pablo M. De Biase, Suren Markosyan, Sergei Yu Noskov
2015 J jnl
Improving the LIE Method for Binding Free Energy Calculations of Protein-Ligand Complexes.
J. Chem. Inf. Model.
Williams E. Miranda, Sergei Yu Noskov, Pedro A. Valiente
2014 J jnl
Microsecond simulations of DNA and ion transport in nanopores with novel ion-ion and ion-nucleotides effective potentials.
J. Comput. Chem.
Pablo M. De Biase, Suren Markosyan, Sergei Yu Noskov
2013 J jnl
The Molecular Mechanism of Ion-Dependent Gating in Secondary Transporters.
PLoS Comput. Biol.
Chunfeng Zhao, Sergei Yu Noskov
2012 J jnl
Modeling of Open, Closed, and Open-Inactivated States of the hERG1 Channel: Structural Mechanisms of the State-Dependent Drug Binding.
J. Chem. Inf. Model.
Serdar Durdagi, Sumukh Deshpande, Henry J. Duff, Sergei Yu Noskov
2011 J jnl
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.
Serdar Durdagi, Henry J. Duff, Sergei Yu Noskov
2010 J jnl
The QM-MM interface for CHARMM-deMon.
J. Comput. Chem.
Bogdan Lev, Rui Zhang, Aurélien de la Lande, Dennis R. Salahub, Sergei Yu Noskov