Sergei Yu Noskov
Orcid: 0000-0001-7769-335X
According to our database1,
Sergei Yu Noskov
authored at least 11 papers
between 2010 and 2021.
Collaborative distances:
Collaborative distances:
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Bibliography
2021
Toward Reducing hERG Affinities for DAT Inhibitors with a Combined Machine Learning and Molecular Modeling Approach.
J. Chem. Inf. Model., 2021
2020
J. Chem. Inf. Model., 2020
Assessing hERG1 Blockade from Bayesian Machine-Learning-Optimized Site Identification by Ligand Competitive Saturation Simulations.
J. Chem. Inf. Model., 2020
2016
K<sup>+</sup> Block Is the Mechanism of Functional Asymmetry in Bacterial Na<sub>v</sub> Channels.
PLoS Comput. Biol., 2016
2015
Improving the LIE Method for Binding Free Energy Calculations of Protein-Ligand Complexes.
J. Chem. Inf. Model., 2015
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., 2015
2014
Microsecond simulations of DNA and ion transport in nanopores with novel ion-ion and ion-nucleotides effective potentials.
J. Comput. Chem., 2014
2013
PLoS Comput. Biol., 2013
2012
Modeling of Open, Closed, and Open-Inactivated States of the hERG1 Channel: Structural Mechanisms of the State-Dependent Drug Binding.
J. Chem. Inf. Model., 2012
2011
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., 2011
2010