Sergei Yu Noskov

Publication Activity (10 Years)

Years Active: 2010-2021
Publications (10 Years): 4

Top Topics

Machine Learning

Data Driven Approaches

Top Venues

J. Chem. Inf. Model.

J. Comput. Chem.

PLoS Comput. Biol.

Publications

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) (2021)
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) (2020)
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) (2020)
Van Ngo, Yibo Wang, Stephan Haas, Sergei Yu Noskov, Robert A. Farley
Channels. PLoS Comput. Biol. 12 (1) (2016)
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) (2015)
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) (2015)
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) (2014)
Chunfeng Zhao, Sergei Yu Noskov
The Molecular Mechanism of Ion-Dependent Gating in Secondary Transporters. PLoS Comput. Biol. 9 (10) (2013)
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) (2012)
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) (2011)
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) (2010)