Books
Projects
Citation
Editorships
Taba
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.
Downloads
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
Funding
The Brazilian National Council for Scientific and Technological Development (CNPq) (Process 306298/2022-8) supports this research project.