 | The topic of this article may not meet Wikipedia's general notability guideline. (March 2022) |
Semiempirical Energy Based (SEEB) is a partition method introduced by Carvalho and Melo to study protein ligand association processes.[1] This method enables the stabilization energy decomposition both into physically meaningful and spatial components. As this formalism was developed at a semiempirical quantum level, it enables also the complete separability of these components. The SEEB formalism was extended to describe protein-ligand interactions using a pair-wise potential.[2] The results obtained enable us to conclude that the present decomposition scheme can be used for understanding the cohesive phenomena in proteins. Computational methods are of great interest to evaluate binding affinities between proteins and ligands, with many applications in structure-based drug design.[3]
- ^ Energy partitioning in association processes. Int J Quantum Chem. 2005;104:240–248.
- ^ Exact and Effective Pair-Wise Potential for Protein-Ligand Interactions Obtained from a Semiempirical Energy Partition. Int J Mol Sci. 2008 September; 9(9): 1652–1664.
- ^ Carvalho, Alexandre R. F.; Melo, André (2010). "Quantum Semiempirical Energy Based (SEEB) Descriptors Performance with Benzamidine Inhibitors of Trypsin". Molecular Informatics. 29: 525–531. doi:10.1002/minf.201000024.