𝔖 Bobbio Scriptorium
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Multiple molecular recognition mechanisms. Cytochrome P450—A case study

✍ Scribed by Rebecca C. Wade; Domantas Motiejunas; Karin Schleinkofer; Sudarko; Peter J. Winn; Amit Banerjee; Andrei Kariakin; Christiane Jung

Book ID
104003474
Publisher
Elsevier Science
Year
2005
Tongue
English
Weight
542 KB
Volume
1754
Category
Article
ISSN
1570-9639

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✦ Synopsis

Biomolecular recognition is complex. The balance between the different molecular properties that contribute to molecular recognition, such as shape, electrostatics, dynamics and entropy, varies from case to case. This, along with the extent of experimental characterization, influences the choice of appropriate computational approaches to study biomolecular interactions. Here, we present computational studies of cytochrome P450 enzymes and their interactions with small molecules and with other proteins. These interactions exemplify some of the diversity of molecular determinants of binding affinity and specificity observed for proteins and we discuss some of the challenges that they pose for molecular modelling and simulation.

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