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.
Department of Chemistry, Yale University, PO Box 208107, New Haven, CT 06520-8107, USA.
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ML
Lamb
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WL
Jorgensen
D001665:Binding Sites; D001671:Biochemistry / Q000379:methods*; D007473:Ion Channels / Q000737:chemistry; D008024:Ligands; D008958:Models, Molecular; D008968:Molecular Conformation; D011487:Protein Conformation; D011506:Proteins / Q000737:chemistry* / Q000378:metabolism*; D013816:Thermodynamics
D007473:Ion Channels; D008024:Ligands; D011506:Proteins