One Concept, Three Implementations of 3D Pharmacophore-Based Virtual Screening: Distinct Coverage of Chemical Search Space

By Gudrun M. Spitzer, Mathias Heiss, M. Mangold, P. Markt, Johannes Kirchmair, Gerhard Wolber, Klaus R. Liedl. 2010

55 citations recorded by the source corpus.

Subfields: Computational Theory and Mathematics, Materials Chemistry, Molecular Biology, Evaluation & Benchmarks, 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. David Ryan Koes
2. Glaucius Oliva
3. L. Ferreira
4. Ricardo N Dos Santos
5. Carlos J. Camacho
6. Adriano Defini Andricopulo
7. Luca Pinzi
8. Giulio Rastelli

In Materials Chemistry

1. Glaucius Oliva
2. Adriano Defini Andricopulo
3. L. Ferreira
4. Ricardo N Dos Santos
5. Carlos J. Camacho
6. David Ryan Koes

In Molecular Biology

1. Glaucius Oliva
2. L. Ferreira
3. Ricardo N Dos Santos
4. Adriano Defini Andricopulo
5. David Ryan Koes
6. Carlos J. Camacho

In Evaluation & Benchmarks

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

In Computational Chemistry & Drug Discovery

1. L. Ferreira
2. Glaucius Oliva
3. Ricardo N Dos Santos
4. Adriano Defini Andricopulo
5. Carlos J. Camacho
6. David Ryan Koes
7. Giulio Rastelli
8. Luca Pinzi

Citations in the corpus

• Molecular Docking and Structure-Based Drug Design Strategies (2015, methodology): “[134,135] Molsoft [136] MoKa [137,138] Another LBVS approach is the use of structural features collected from known ligands to generate pharmacophore models [139].”
• ZINCPharmer: pharmacophore search of the ZINC database (2012, background): “However, there are several differences between the pharmacophore recognition routines and alignment policies of different software packages (21).”