Taba

Books

Springer Docking Screens for Drug Discovery. Editor: de Azevedo Jr., Walter Filgueira (Ed.)

Progress in Cell Cycle Research: Volume 2

Projects

SAnDReS-Sigma SAnDReS: Statistical Analysis of Docking Results and Scoring functions

SFSXplorer: Scoring Function Space eXplorer

Taba Taba: A Tool to Analyze the Binding Affinity

Citation

Citation Metrics

Editorships

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

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

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

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

Associate Editor for Exploration of Drug Science

Reviewer Editor for Frontiers in Chemistry ISSN: 2296-2646

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

Highlights

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. We are currently updating Taba to integrate it with SAnDReS 2.0. We expect to release a new version of Taba by August/2023. Please cite the following reference (da Silva et al., 2020) if you use the Taba program.

Senior Researchers Participarting in the Project

Prof. Fernanda Canduri. Laboratório de Bioquímica Molecular e Estrutural. Grupo de Química Medicinal e Biológica. Instituto de Química de São Carlos, Universidade de São Paulo. São Paulo-SP, Brazil. 13566-590. E-mail: fcanduri@iqsc.usp.br

Dr. Olga Tarasova. Senior researcher, Laboratory of structure-function drug design, Institute of Biomedical Chemistry, Pogodinskaya Str., 10/8, Moscow 119121, Russia. E-mail: olga.a.tarasova@gmail.com

Prof. Stéphaine Baud. Université de Reims Champagne Ardenne. Laboratoire SiRMa, UMR CNRS/URCA 7369. UFR Sciences Exactes et Naturelles. Moulin de la Housse. 51687 Reims Cedex 2. France. E-mail: stephanie.baud@univ-reims.fr

Prof. Marco Tutone. Dipartimento di Scienze e Tecnologie Biologiche Chimiche e Farmaceutiche (STEBICEF), Università di Palermo, Via Archirafi 32, 90123 Palermo, Italy. E-mail: marco.tutone@unipa.it

Prof. Marcos A. Villarreal. Instituto de Investigaciones en Fisicoquímica de Córdoba (INFIQC), CONICET-Departamento de Matemática y Física, Facultad de Ciencias Químicas, Universidad Nacional de Córdoba, Ciudad Universitaria, Córdoba, Argentina. E-mail: mvillarreal@unc.edu.ar

Prof. Nelson José Freitas da Silveira. Laboratory of Molecular Modeling and Computer Simulation, Department of Exact Science, Federal University of Alfenas/UNIFAL-MG, Alfenas, Brazil. 37130-001. E-mail: nelson.silveira@unifal-mg.edu.br

Prof. Rodrigo Quiroga. Instituto de Investigaciones en Fisicoquímica de Córdoba (INFIQC), CONICET-Departamento de Matemática y Física, Facultad de Ciencias Químicas, Universidad Nacional de Córdoba, Ciudad Universitaria, Córdoba, Argentina. E-mail: rquiroga@unc.edu.ar

Prof. Walter F. de Azevedo, Jr. National Council for Scientific and Technological Development. SHIS QI 01, Conjunto B, Edifício Santos Dumont, Lago Sul – CEP 71.605-170 - Brasília/DF. Brazil. E-mail: walter@azevedolab.net

Taba

Books

Projects

Citation

Editorships

Taba

Highlights

Downloads

Senior Researchers Participarting in the Project

Funding