Maria Kadukova

According to our database, Maria Kadukova authored at least 8 papers between 2016 and 2021.

Collaborative distances:

• Dijkstra number of five.
• Erdős number of four.

2021

Development of novel algorithms for data-driven prediction of interactions between proteins and small molecules. (Développement de nouveaux modèles, basés sur les données, pour prédire les interactions entre protéines et petites molécules).

Maria Kadukova

PhD thesis, 2021

KORP-PL: a coarse-grained knowledge-based scoring function for protein-ligand interactions.

Maria Kadukova, Karina dos Santos Machado, Pablo Chacón, Sergei Grudinin

Bioinform., 2021

VoroCNN: deep convolutional neural network built on 3D Voronoi tessellation of protein structures.

Ilia Igashov, Kliment Olechnovic, Maria Kadukova, Ceslovas Venclovas, Sergei Grudinin

Bioinform., 2021

2020

Docking rigid macrocycles using Convex-PL, AutoDock Vina, and RDKit in the D3R Grand Challenge 4.

Maria Kadukova, Vladimir Chupin, Sergei Grudinin

J. Comput. Aided Mol. Des., 2020

2018

Docking of small molecules to farnesoid X receptors using AutoDock Vina with the Convex-PL potential: lessons learned from D3R Grand Challenge 2.

Maria Kadukova, Sergei Grudinin

J. Comput. Aided Mol. Des., 2018

2017

Convex-PL: a novel knowledge-based potential for protein-ligand interactions deduced from structural databases using convex optimization.

Maria Kadukova, Sergei Grudinin

J. Comput. Aided Mol. Des., 2017

2016

Knodle: A Support Vector Machines-Based Automatic Perception of Organic Molecules from 3D Coordinates.

Maria Kadukova, Sergei Grudinin

J. Chem. Inf. Model., 2016

Predicting binding poses and affinities for protein - ligand complexes in the 2015 D3R Grand Challenge using a physical model with a statistical parameter estimation.

Sergei Grudinin, Maria Kadukova, Andreas Eisenbarth, Simon Marillet, Frédéric Cazals

J. Comput. Aided Mol. Des., 2016