Current Drug Targets

Frontiers Section Editor (Bioinformatics and Biophysics) for the Current Drug Targets ISSN: 1873-5592

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Current Medicinal Chemistry

Section Editor (Bioinformatics in Drug Design and Discovery) for the Current Medicinal Chemistry ISSN: 1875-533X

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Journal of Molecular Structure

Member of the Editorial Board of the Journal of Molecular Structure ISSN: 0022-2860

Journal of Molecular Structure Link

Molecular Diversity

Member of the Editorial Board of Molecular Diversity ISSN: 1381-1991 (Print) 1573-501X (Online)

Molecular Diversity Link

Exploration of Drug Science

Associate Editor for Exploration of Drug Science

Exploration of Drug Science Link

Frontiers in Chemistry

Reviewer Editor for Frontiers in Chemistry ISSN: 2296-2646

Frontiers in Chemistry Link

Organic and Medicinal Chemistry International Journal

Member of the Editorial Board for the Organic and Medicinal Chemistry International Journal ISSN: 2474-7610

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Taba (Tool to Analyze the Binding Affinity) generates scoring functions to predict binding affinity based on the atomic coordinates of a protein-ligand complex. It employs a polynomial equation where the terms are mass-spring potentials. Taba calculates average interatomic distances and takes them as equilibrium distances for a mass-spring potential. The mass-spring potential equation and the equilibrium constants for each pair of atoms compose the Taba Force Field (TFF). We are currently updating Taba and expect to release a new version of Taba by September/2023. It is indicated below a flowchart highlighting the main steps of Taba. Please cite the following reference (da Silva et al., 2020) if you use the Taba program. 

Flowchart showing the main steps used to generate targeted-scoring functions with Taba (da Silva et al., 2020).



The Brazilian National Council for Scientific and Technological Development (CNPq) (Process 306298/2022-8) supports this research project.