Litcius/Paper detail

What is the current value of MM/PBSA and MM/GBSA methods in drug discovery?

Tiziano Tuccinardi

2021Expert Opinion on Drug Discovery286 citationsDOIOpen Access PDF

Abstract

1. Introduction
\n2. MM/PB(GB)SA methods
\n3.MM/PB(GB)SA applications
\n3.1. Ligand-binding orientation
\n3.2. Virtual screening studies
\n3.3. QM/PB(GB)SA method
\n3.4. Macromolecular interactions
\n4. Expert opinion

Topics & Concepts

Drug discoveryCurrent (fluid)Value (mathematics)MedicineDrugPharmacologyBioinformaticsComputer scienceBiologyEngineeringElectrical engineeringMachine learningComputational Drug Discovery MethodsProtein Structure and DynamicsReceptor Mechanisms and Signaling