A new approach to rigid body minimization with application to molecular docking

Our work is motivated by energy minimization in the space of rigid affine transformations of macromolecules, an essential step in computational protein-protein docking. We introduce a novel representation of rigid body motion that leads to a natural formulation of the energy minimization problem as...

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Bibliographische Detailangaben

Hauptverfasser:	Mirzaei, H., Kozakov, D., Beglov, D., Paschalidis, I. C., Vajda, S., Vakili, P.
Format:	Tagungsbericht
Sprache:	eng
Schlagworte:	Educational institutions Manifolds Minimization Optimization Proteins Vectors
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