Computational approaches to molecular recognition

Computational approaches to molecular recognition

Recent advances in the computation of free energies have facilitated the understanding of host—guest and protein—ligand recognition. Rigorous perturbation methods have been assessed and expanded, and more approximate techniques have been developed that allow faster treatment of diverse systems.

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Bibliographische Detailangaben
Veröffentlicht in:Current opinion in chemical biology 1997-12, Vol.1 (4), p.449-457
Hauptverfasser: Lamb, Michelle L, Jorgensen, William L
Format: Artikel
Sprache:eng
Schlagworte:
Binding Sites
Biochemistry - methods
Ion Channels - chemistry
Ligands
Models, Molecular
Molecular Conformation
Protein Conformation
Proteins - chemistry
Proteins - metabolism
Thermodynamics
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Beschreibung
Zusammenfassung:Recent advances in the computation of free energies have facilitated the understanding of host—guest and protein—ligand recognition. Rigorous perturbation methods have been assessed and expanded, and more approximate techniques have been developed that allow faster treatment of diverse systems.
ISSN:1367-5931
1879-0402
DOI:10.1016/S1367-5931(97)80038-5