Ligand binding predicted

Hansson T, J Mturelius and J Aqvist 1998. Ligand Binding Affinity Prediction by Linear InteracHor Energy Methods. Journal of Computer-Aided Molecular Design 12 27-35. 

Reddy MR, Erion MD, Agarwal A. Free energy calculations Use and limitations in predicting ligand binding affinities. In Lipkowitz KB, Boyd DB, editors. Reviews in Computational Chemistry, Vol. 16. New York Wiley-VCH, 2000. p. 217-304. 

For reasons that are not yet clear, skeletal muscle transverse (T)-tubule membranes contain 50-100-fold more high affinity DHP receptors than any other source yet identified [43,45]. Transverse tubule membranes contain 30-70 pmol/mg protein of DHP receptors that bind [ H]PN 200-100 with a of 0.1-0.2nM. The strategy utilized for the purification of L-type channels was similar to that used for the purification of other high affinity ligand binding proteins, and its success was predicted from the prior use of such an approach for the purification of other ion channels [54,55]. Thus the L-type channels were purified as high affinity DHP receptors, with the anticipation that the purified component(s) would constitute functional Ca channels. 

Section II,B, this may be an overestimate of the false positive error rate because many of the apparent consecutive errors correspond to regions of disorder that are ordered in the crystal due to ligand binding or crystal contacts. Also, because disordered regions of length >40 residues are often missed due to false negative predictions of order, the data in... 

T. Hansson, J. Marelius, and J. Aqvist, Ligand binding affinity prediction by linear... 

Several different types of approaches for predicting ligand-binding affinities have been developed and a number of useful reviews of the field... 

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