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Disambiguation of "Kadukova, Maria"

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Regression-Based Active Learning for Accessible Acceleration of Ultra-Large Library Docking.

, , , , , , , , and . J. Chem. Inf. Model., 64 (7): 2612-2623 (2024)

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Petra Marialke-Kandaouroff

Manuel Mariadasa

Malaiyalam Mariappan

Boris Mariacher

Norman Marian

 

Other publications of authors with the same name

KORP-PL: a coarse-grained knowledge-based scoring function for protein-ligand interactions., , , and . Bioinform., 37 (7): 943-950 (2021)Docking rigid macrocycles using Convex-PL, AutoDock Vina, and RDKit in the D3R Grand Challenge 4., , and . J. Comput. Aided Mol. Des., 34 (2): 191-200 (2020)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).. Grenoble Alpes University, France, (2021)Knodle: A Support Vector Machines-Based Automatic Perception of Organic Molecules from 3D Coordinates., and . J. Chem. Inf. Model., 56 (8): 1410-1419 (2016)VoroCNN: deep convolutional neural network built on 3D Voronoi tessellation of protein structures., , , , and . Bioinform., 37 (16): 2332-2339 (2021)Docking of small molecules to farnesoid X receptors using AutoDock Vina with the Convex-PL potential: lessons learned from D3R Grand Challenge 2., and . J. Comput. Aided Mol. Des., 32 (1): 151-162 (2018)Convex-PL: a novel knowledge-based potential for protein-ligand interactions deduced from structural databases using convex optimization., and . J. Comput. Aided Mol. Des., 31 (10): 943-958 (2017)Regression-Based Active Learning for Accessible Acceleration of Ultra-Large Library Docking., , , , , , , , and . J. Chem. Inf. Model., 64 (7): 2612-2623 (2024)