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.
Lamb
M L
ML
Department of Chemistry, Yale University, PO Box 208107, New Haven, CT 06520-8107, USA.
Jorgensen
W L
WL
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