Protein-protein interactions from linear-scaling first-principles quantum-mechanical calculations
A modification of the MM-PBSA technique for calculating binding affinities of biomolecular complexes is presented. Classical molecular dynamics is used to explore the motion of the extended interface between two peptides derived from the BRC4 repeat of BRCA2 and the eukaryotic recombinase RAD51. The...
| Main Authors: | , , , , |
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| Format: | Article |
| Language: | English |
| Published: |
2010-08.
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| Subjects: | |
| Online Access: | Get fulltext |