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Muthuraja Arun Pravin, Saravanan Priyadharshini, Mohammad Aqueel Khan, Rajaram Abhirami, Sanjeev Kumar Singh
Abstract
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An evaluation of the completeness of drug-drug interaction-related information in package inserts
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GNINA 1.0: molecular docking with deep learning
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Atom-based 3D-QSAR and DFT analysis of 5‐substituted 2‐acylaminothiazole derivatives as HIV-1 latency-reversing agents
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Highly accurate protein structure prediction with AlphaFold
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Detection of clinically significant drug-drug interactions in fatal torsades de pointes: disproportionally analysis of the food and drug administration adverse event reporting system
10.2196/65872 · doi-reference
A hybrid approach based on pattern recognition and BioNLP for investigating drug-drug interaction
10.2174/157489361003150723135136 · doi-reference
Principles of early drug discovery
10.1111/j.1476-5381.2010.01127.x · doi-reference
Accelerating therapeutics for opportunities in medicine: a paradigm shifts in drug discovery
10.3389/fphar.2020.00770 · doi-reference
Empirical scoring functions for structure-based virtual screening: applications, critical aspects, and challenges
10.3389/fphar.2018.01089 · doi-reference
New machine learning and physics-based scoring functions for drug discovery
10.1038/s41598-021-82410-1 · doi-reference
Benchmarking AI-powered docking methods from the perspective of virtual screening
10.1038/s42256-025-00993-0 · doi-reference
Knowledge-based scoring function to predict protein-ligand interactions
10.1006/jmbi.1999.3371 · doi-reference
AI-driven drug discovery: a comprehensive review
10.1021/acsomega.5c00549 · doi-reference
Computational prediction of drug-drug interactions based on drugs functional similarities
10.1016/j.jbi.2017.04.021 · doi-reference
AutoDock Vina 1.2. 0: new docking methods, expanded force field, and python bindings
10.1021/acs.jcim.1c00203 · doi-reference
Insights into protein-ligand interactions: mechanisms, models, and methods
10.3390/ijms17020144 · doi-reference
Research and development costs of new drugs
10.1001/jama.2020.8645 · doi-reference
An effective framework for predicting drug-drug interactions based on molecular substructures and knowledge graph neural network
10.1016/j.compbiomed.2023.107900 · doi-reference
Artificial intelligence-driven prediction of multiple drug interaction
10.1093/bib/bbac427 · doi-reference