Ligand docking and structure-based virtual screening in drug discovery.

By Claudio N. Cavasotto, A. Orry. 2007

254 citations recorded by the source corpus.

Subfields: Computational Theory and Mathematics, Materials Chemistry, Organic Chemistry, Computational Chemistry & Drug Discovery

How researchers see this paper

The researchers whose trusted networks rank it highest, strongest advocate first. Every researcher gets a different order.

In Computational Theory and Mathematics

1. Glaucius Oliva
2. L. Ferreira
3. Ricardo N Dos Santos
4. Adriano Defini Andricopulo
5. Lívia Barros Salum
6. Luca Pinzi
7. Giulio Rastelli

In Materials Chemistry

1. Glaucius Oliva
2. Adriano Defini Andricopulo
3. L. Ferreira
4. Ricardo N Dos Santos

In Organic Chemistry

1. Glaucius Oliva
2. Adriano Defini Andricopulo
3. L. Ferreira
4. Ricardo N Dos Santos
5. Luca Pinzi
6. Giulio Rastelli

In Computational Chemistry & Drug Discovery

1. Glaucius Oliva
2. Adriano Defini Andricopulo
3. L. Ferreira
4. Ricardo N Dos Santos
5. Giulio Rastelli
6. Luca Pinzi

Citations in the corpus

• Molecular Docking and Structure-Based Drug Design Strategies (2015, background): “Conformational changes, resulting from interaction with ligands, and structural resolution are important details requiring consideration in the selection of the most suitable structure [170,171].”
• Molecular dynamics simulations and novel drug discovery (2018, background): “docking poses are scored, and the compounds are ranked according to the score [113,114].”
• Fragment-based QSAR strategies in drug design (2010, background): “Therefore, encoding molecular structures by using substructural fragments can be a simple and adequate form to describe and comprehend the pharmacodynamic and pharmacokinetic properties of bioactive ligands [7,9,11-13].”