Molecular docking algorithms.

By R. Dias, W. F. de Azevedo. 2008

226 citations recorded by the source corpus.

Subfields: Computational Theory and Mathematics, 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. Stephen H. Bryant
2. Glaucius Oliva
3. L. Ferreira
4. Ricardo N Dos Santos
5. Claudia Oliva Mendoza-Barrera
6. Aldo Yair Tenorio-Barajas
7. H. Vivanco-Cid
8. A. Hernández-Santoyo

In Computational Chemistry & Drug Discovery

1. Claudia Oliva Mendoza-Barrera
2. Aldo Yair Tenorio-Barajas
3. H. Vivanco-Cid
4. A. Hernández-Santoyo
5. Glaucius Oliva
6. Stephen H. Bryant
7. Adriano Defini Andricopulo
8. L. Ferreira

Citations in the corpus

• Molecular Docking and Structure-Based Drug Design Strategies (2015, methodology): “The algorithm performs the conformational search only for the fragments being added, reducing the degrees of freedom to be explored, and thereby avoiding combinatorial explosion [33].”
• Protein-Protein and Protein-Ligand Docking (2013, methodology): “Bank (PDB) and Worldwide Protein Data Bank (wwPDB) have over 88000 protein structures, many of which play vital roles in critical metabolic pathways that may be regarded as potential therapeutic targets — and specific databases containing structures of binary complexes become available, together wit”
• Structure-Based Virtual Screening for Drug Discovery: a Problem-Centric Review (2012, background): “General advances in the ligand conformational sampling algorithms of docking programs have been extensively reviewed elsewhere (7,20 – 24) and were thus not covered here.”