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Author Details
Full Name
Maria Kadukova
Affiliation
ORCID
Career Start Year
2016
Papers
9
H Index
8
Expertise
CM4AI Collaborator
PMID
Paper Title
Journal Title
Published Year
32840574
KORP-PL: a coarse-grained knowledge-based scoring function for protein-ligand interactions.
Bioinformatics
2021
33620450
VoroCNN: deep convolutional neural network built on 3D Voronoi tessellation of protein structures.
Bioinformatics
2021
33081390
Hydroxylation of Antitubercular Drug Candidate, SQ109, by Mycobacterial Cytochrome P450.
Int J Mol Sci
2020
31784861
Docking rigid macrocycles using Convex-PL, AutoDock Vina, and RDKit in the D3R Grand Challenge 4.
J Comput Aided Mol Des
2020
31612567
Blind prediction of homo- and hetero-protein complexes: The CASP13-CAPRI experiment.
Proteins
2019
28913782
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
28921375
Convex-PL: a novel knowledge-based potential for protein-ligand interactions deduced from structural databases using convex optimization.
J Comput Aided Mol Des
2017
27718029
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
27405533
Knodle: A Support Vector Machines-Based Automatic Perception of Organic Molecules from 3D Coordinates.
J Chem Inf Model
2016
1 - 9 of 9
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