Zobrazeno 1 - 3
of 3
pro vyhledávání: '"B K, Shoichet"'
Publikováno v:
Journal of the American Chemical Society. 127(13)
Bacterial expression of beta-lactamases is the most widespread resistance mechanism to beta-lactam antibiotics, such as penicillins and cephalosporins. There is a pressing need for novel, non-beta-lactam inhibitors of these enzymes. One previously di
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::18c065cc44d7c411d83a7957632ee089
https://pubmed.ncbi.nlm.nih.gov/15796528
https://pubmed.ncbi.nlm.nih.gov/15796528
Publikováno v:
Proteins. 42(2)
Molecular docking programs screen chemical databases for novel ligands that fit protein binding sites. When one compound fits the site well, close analogs typically do the same. Therefore, many of the compounds that are found in such screens resemble
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=pmid________::160584c113874ce0d83198a6e58bfd68
https://pubmed.ncbi.nlm.nih.gov/11119652
https://pubmed.ncbi.nlm.nih.gov/11119652
Publikováno v:
Proteins. 34(1)
Solvation plays an important role in ligand-protein association and has a strong impact on comparisons of binding energies for dissimilar molecules. When databases of such molecules are screened for complementarity to receptors of known structure, as
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=pmid________::e469a2e74e13746cbad417de48c23651
https://pubmed.ncbi.nlm.nih.gov/10336382
https://pubmed.ncbi.nlm.nih.gov/10336382