Work

Nequim Contact System (ncs): a Tool for the Generation and Analysis of Protein-ligand Interaction Fingerprints

Year: 2024

Type: article

Abstract: 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 Surex. Availability: The NCS is available free of charge from the SourceForge website https://sourceforge.net/projects/nequimcontacts

Source: GLOBAL JOURNAL FOR RESEARCH ANALYSIS

DOI: 10.36106/gjra/0210503

Authors: Andrelly Martins-Jose, Vera Lucia de Almeida, Julio Cesar Dias Lopes

Institutions: Universidade Federal de Minas Gerais, Ezequiel Dias Foundation

Language: English

Topic: Computational Drug Discovery Methods

Subfield: Computational Theory and Mathematics

Field: Computer Science

Domain: Physical Sciences

Open Access status: diamond

Funder: Conselho Nacional de Desenvolvimento Científico e Tecnológico

OpenAlex ID: W4404198037

FWCI: 0.195

Cites: 1

Cited by: 1

Related to: 10