Maria Kadukova
Orcid: 0000-0003-2514-2606
According to our database1,
Maria Kadukova
authored at least 9 papers
between 2016 and 2024.
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Bibliography
2024
Regression-Based Active Learning for Accessible Acceleration of Ultra-Large Library Docking.
J. Chem. Inf. Model., 2024
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).
PhD thesis, 2021
KORP-PL: a coarse-grained knowledge-based scoring function for protein-ligand interactions.
Bioinform., 2021
VoroCNN: deep convolutional neural network built on 3D Voronoi tessellation of protein structures.
Bioinform., 2021
2020
Docking rigid macrocycles using Convex-PL, AutoDock Vina, and RDKit in the D3R Grand Challenge 4.
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.
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.
J. Comput. Aided Mol. Des., 2017
2016
Knodle: A Support Vector Machines-Based Automatic Perception of Organic Molecules from 3D Coordinates.
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.
J. Comput. Aided Mol. Des., 2016