NEQUIM CONTACT SYSTEM (NCS): A TOOL FOR THE GENERATION AND ANALYSIS OF PROTEIN-LIGAND INTERACTION FINGERPRINTS
NEQUIM Contact System (NCS) is a system that generates and analyzes interaction vectors of proteinligand complexes. Core features include multiple views of vectors, multiple selection options, cluster analysis, and the generation of interaction vector models. The input could be from a PDB format or les generated by automatic docking software AutoDock, Vina, or Surex. Availability: The NCS is available free of charge from the SourceForge website https://sourceforge.net/projects/nequimcontacts
Authors
- Vera Lúcia de Almeida (ORCID: https://orcid.org/0000-0002-4981-2216)
- Júlio César Dias Lopes (ORCID: https://orcid.org/0000-0002-5872-7611)
- Andrelly Martins-José
Institutions
- Ezequiel Dias Foundation (BR)
- Rede de Química e Tecnologia (PT)
Publication Details
- Journal
- GLOBAL JOURNAL FOR RESEARCH ANALYSIS
- Published
- 2024-09-15
- DOI
- https://doi.org/10.36106/gjra/0210503
- Primary Topic
- Computational Drug Discovery Methods
- Type
- article
- Field-Weighted Citation Impact
- 0.00