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This flexibility makes it easy for researchers to use the software with their existing data sets. This helps researchers to identify potential drug candidates and optimize their structure for maximum effectiveness.įlexible input options: The software allows users to input various data types, including 3D protein structures, 2D chemical structures, and sequence information. This software is designed to help scientists and researchers in the pharmaceutical industry predict the binding affinity of small molecules to proteins, which is an essential factor in developing new drugs.Īdvanced binding affinity prediction: It uses advanced algorithms and machine learning techniques to accurately predict small molecules’ binding affinity to proteins.

It is a powerful software solution developed by BioSolveIT GmbH, a leading company in computational drug design.

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