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