Zobrazeno 1 - 9 of 9 pro vyhledávání: '"J. D. Hirst"'
1
Predicting ligand binding energies
Autor: J D, Hirst
Publikováno v: Current opinion in drug discoverydevelopment. 1(1)
Computer-aided drug design is a burgeoning discipline, in part, because of the fundamental role that molecular recognition plays in chemistry and biology, and partly due to the obvious commercial implications. This review focuses on methods rather th
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=pmid________::e64357a7c95812d8c7425e7b42f39085
https://pubmed.ncbi.nlm.nih.gov/19649786
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4
Do active site conformations of small ligands correspond to low free-energy solution structures?
Autor: M, Vieth, J D, Hirst, C L, Brooks
Publikováno v: Journal of computer-aided molecular design. 12(6)
We compare the low free energy structures of ten small, polar ligands in solution to their conformations in their respective receptor active sites. The solution conformations are generated by a systematic search and the free energies of representativ
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=pmid________::b08c337f28f3043d0329eb5ad554248d
https://pubmed.ncbi.nlm.nih.gov/9879504
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5
Prediction of ATP/GTP-binding motif: a comparison of a perceptron type neural network and a consensus sequence method [corrected]
Autor: J D, Hirst, M J, Sternberg
Publikováno v: Protein engineering. 4(6)
Neural networks have been applied to a number of protein structure problems. In some applications their success has not been substantiated by a comparison with the performance of a suitable alternative statistical method on the same data. In this pap
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=pmid________::f1b2fb889c020a63c9aeba06a065201b
https://pubmed.ncbi.nlm.nih.gov/1946319
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