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Sponsored Design Multi-Agent AI Systems Using MCP and A2A: Engineer your own Pyt Design Multi-Agent AI Systems Using MCP and A2A: Engineer your own Pyt

Author

Konstantinos Tornesakis

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Open access Aug 2026

Evaluating molecular docking for binding affinity predictions: a systematic analysis of key parameters and the utility of AlphaFold2 structures for the Schrödinger dataset

Docking should be considered as an important and computationally inexpensive reference baseline for binding affinity prediction, and the scoring function and the protein structure are the most important factors for binding affinity accuracy in rigid docking with the MOE software.

Konstantinos Tornesakis, J. Essex, Paul A. Cox et al. · 0 citations

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