Pairwise Performance Comparison of Docking Scoring Functions: Computational Approach Using InterCriteria Analysis

Pairwise Performance Comparison of Docking Scoring Functions: Computational Approach Using InterCriteria Analysis

Scoring functions are key elements in docking protocols as they approximate the binding affinity of a ligand (usually a small bioactive molecule) by calculating its interaction energy with a biomacromolecule (usually a protein). In this study, we present a pairwise comparison of scoring functions ap...

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Bibliographic Details
Main Authors: Maria Angelova, Petko Alov, Ivanka Tsakovska, Dessislava Jereva, Iglika Lessigiarska, Krassimir Atanassov, Ilza Pajeva, Tania Pencheva
Format: Article
Language:English
Published: MDPI AG 2025-06-01
Series:Molecules
Subjects:
molecular operating environment
scoring functions
molecular docking
InterCriteria analysis
Online Access:https://www.mdpi.com/1420-3049/30/13/2777
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