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Maria Kadukova
ORCID
Publication Activity (10 Years)
Years Active: 2016-2021
Publications (10 Years): 7
Top Topics
Grand Challenge
Convex Optimization
Voronoi Tessellation
Protein Structure
Top Venues
J. Comput. Aided Mol. Des.
Bioinform.
J. Chem. Inf. Model.
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Publications
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Ilia Igashov
,
Kliment Olechnovic
,
Maria Kadukova
,
Ceslovas Venclovas
,
Sergei Grudinin
VoroCNN: deep convolutional neural network built on 3D Voronoi tessellation of protein structures.
Bioinform.
37 (16) (2021)
Maria Kadukova
,
Karina dos Santos Machado
,
Pablo Chacón
,
Sergei Grudinin
KORP-PL: a coarse-grained knowledge-based scoring function for protein-ligand interactions.
Bioinform.
37 (7) (2021)
Maria Kadukova
,
Vladimir Chupin
,
Sergei Grudinin
Docking rigid macrocycles using Convex-PL, AutoDock Vina, and RDKit in the D3R Grand Challenge 4.
J. Comput. Aided Mol. Des.
34 (2) (2020)
Maria Kadukova
,
Sergei Grudinin
Docking of small molecules to farnesoid X receptors using AutoDock Vina with the Convex-PL potential: lessons learned from D3R Grand Challenge 2.
J. Comput. Aided Mol. Des.
32 (1) (2018)
Maria Kadukova
,
Sergei Grudinin
Convex-PL: a novel knowledge-based potential for protein-ligand interactions deduced from structural databases using convex optimization.
J. Comput. Aided Mol. Des.
31 (10) (2017)
Sergei Grudinin
,
Maria Kadukova
,
Andreas Eisenbarth
,
Simon Marillet
,
Frédéric Cazals
Predicting binding poses and affinities for protein - ligand complexes in the 2015 D3R Grand Challenge using a physical model with a statistical parameter estimation.
J. Comput. Aided Mol. Des.
30 (9) (2016)
Maria Kadukova
,
Sergei Grudinin
Knodle: A Support Vector Machines-Based Automatic Perception of Organic Molecules from 3D Coordinates.
J. Chem. Inf. Model.
56 (8) (2016)