Computational strategies to include protein flexibility in Ligand Docking and Virtual Screening
The dynamic character of proteins strongly influences biomolecular recognition mechanisms. With the development of the main models of ligand recognition (lock-and-key, induced fit, conformational selection theories), the role of protein plasticity has become increasingly relevant. In particular, maj...
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Format: | Doctoral Thesis |
Language: | en |
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Alma Mater Studiorum - Università di Bologna
2014
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Online Access: | http://amsdottorato.unibo.it/6330/ |