Note: We are currently updating Taba to integrate it with SAnDReS 2.0 (de Azevedo et al., 2024). Taba 2.0 will employ DOME statistics (Walsh et al., 2021) to evaluate machine-learning models and explore the scoring function space concept with additional regression methods available in Scikit-Learn library (Pedregosa et al., 2011). We expect to release a new version of Taba in 2027.
Dr. Walter F. de Azevedo, Jr. (Posted on January 28, 2026)
Please cite the following reference (da Silva AD et al., 2020) if the Taba program was useful.
da Silva AD, Bitencourt-Ferreira G, de Azevedo WF Jr. Taba: A Tool to Analyze the Binding Affinity. J Comput Chem. 2020; 41(1): 69-73. doi: 10.1002/jcc.26048. PubMed
Taba is free software: you can redistribute it and/or modify it under the terms of the GNU General Public License as published by the Free Software Foundation, either version 3 of the License, or (at your option) any later version. You can use a higher version as well.
de Azevedo WF Jr, editor. Docking screens for drug discovery. 2nd ed. New York, NY: Springer; 2026. DOI: 10.1007/978-1-0716-4949-7
You need to have Python 3 installed on your computer to run Taba. In addition, you also need NumPy (1.14.5*), Matplotlib, scikit-learn (0.19.1*), pyqt4 and SciPy (1.1.0*).
*You can use higher versions as well.
Step 1. Download Taba (available here)
Step 2. Unzip the zipped file (TABA_dist)
Step 3. Copy TABA_dist directory to c:\
Step 4. Open a command prompt window (Terminal) and type: cd c:\TABA_dist
then type: python taba.py
This launches GUI window for Taba. That´s it, good Taba session. See help for additional information about how to run Taba.
Step 1. Download Taba (available here)
Step 2. Unzip the zipped file (TABA_dist)
Step 3. Copy TABA_dist directory to the directory of your choice
Step 4. Open a terminal and type cd /your personal directory/TABA_dist
then type: python taba.py
This launches GUI window for Taba. That´s it, good Taba session. See help for additional information about how to run Taba.
Taba was developed by Amauri Duarte and Dr. Walter F. Azevedo Jr. (walter@azevedolab.net)
Last update of the code on December 04, 2019.
My scientific interests are interdisciplinary, with three main emphases: computational structural biology, artificial intelligence, and complex systems. In my studies, I developed several free software programs to explore the concept of Scoring Function Space.
As a result of my research, I published over 200 scientific works about protein structures, computer models of complex systems, and simulations of protein systems. These publications have generated over 12,000 citations on Google Scholar (h-index of 63) and more than 10,000 citations and an h-index of 58 in Scopus.
Due to the impact of my work, I have been ranked among the most influential researchers in the world (Fields: Biophysics, Biochemistry & Molecular Biology, and Biomedical Research) according to a database created by Journal Plos Biology (see news here). The application of the same set of metrics recognized the influence of my work from 2021 to 2025 (Baas et al., 2021; Ioannidis, 2022; Ioannidis, 2023; Ioannidis, 2024; Ioannidis, 2025). Not bad for a poor guy who was a shoe seller at a store in São Paulo and had the opportunity to study at the University of São Paulo with a scholarship for food and housing. I was 23 when I initiated my undergraduate studies and was the first in my family to have access to higher education.
Regarding scientific impact (Peterson, 2005), Hirsch said that for a physicist, an h-index of 45 or higher could mean membership in the National Academy of Sciences of the USA. So far, there have been no invitations. No hard feelings because I am in good company. Carl Sagan was never allowed into the National Academy of Sciences. According to an analysis of citations performed on Nov. 9, 2024 (The Conversation), his work accumulates more than 1,000 citations per year on Google Scholar. Indeed, his current citation rate exceeds that of many members of the National Academy of Sciences.
I will continue working in science with low-budget and interdisciplinary projects, combating denialism with science and technology. The fight against denialism is a continuing work, and scientists should not forget their role in a complex society where social media has given the right to speak to legions of imbeciles.
“Social media gives the right to speak to legions of imbeciles who previously only spoke at the bar after a glass of wine, without damaging the community. They were immediately silenced, but now they have the same right to speak as a Nobel Prize winner. It’s the invasion of imbeciles.”
Umberto Eco. Source: Quote Investigator
"Let the light of science end the darkness of denialism." My quote (DOI:10.2174/092986732838211207154549).