FRED and HYBRID docking performance on standardized datasets

By Mark McGann. 2012

448 citations recorded by the source corpus.

Subfields: Computational Theory and Mathematics, Materials Chemistry, Molecular Biology, Evaluation & Benchmarks

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. Vijay S. Pande
5. Oscar F. Ortiz
6. Adriano Defini Andricopulo
7. Paul A. Novick
8. C. D. Giovanni

In Materials Chemistry

1. Glaucius Oliva
2. Vijay S. Pande
3. Oscar F. Ortiz
4. Adriano Defini Andricopulo
5. L. Ferreira
6. Paul A. Novick
7. Ricardo N Dos Santos
8. C. D. Giovanni

In Molecular Biology

1. Glaucius Oliva
2. L. Ferreira
3. Ricardo N Dos Santos
4. Vijay S. Pande
5. Oscar F. Ortiz
6. Adriano Defini Andricopulo
7. Paul A. Novick
8. C. D. Giovanni

In Evaluation & Benchmarks

1. Glaucius Oliva
2. Vijay S. Pande
3. Oscar F. Ortiz
4. Adriano Defini Andricopulo
5. L. Ferreira
6. Paul A. Novick
7. Ricardo N Dos Santos
8. C. D. Giovanni

Citations in the corpus

• Molecular Docking and Structure-Based Drug Design Strategies (2015, methodology): “Docking programs such as FRED, Surflex and DOCK solve this problem by applying an incremental construction algorithm in which the ligand is gradually built in the binding site (Figure 4) [30–32].”
• SWEETLEAD: an In Silico Database of Approved Drugs, Regulated Chemicals, and Herbal Isolates for Computer-Aided Drug Discovery (2013, methodology): “Figure 1c demonstrates the effect of this difference when Indinavir is docked into its native protein crystal structure (PDB 2R5P) using the OpenEye docking program FRED[32].”
• Virtual screening strategies in drug discovery: a critical review. (2013, background): “FRED [63] Yes on demand http://www.”