Zobrazeno 1 - 10
of 14
pro vyhledávání: '"Charles L. Lerman"'
Publikováno v:
Journal of chemical information and modeling. 50(7)
NovoFLAP is a computer-aided de novo design tool that generates medicinally relevant ideas for ligand-based projects. The approach combines an evolutionary algorithm (EA-Inventor) with a powerful ligand-based scoring function that uses both molecular
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::20233da8d0cde79edd7b0a79631854b9
https://pubmed.ncbi.nlm.nih.gov/20586434
https://pubmed.ncbi.nlm.nih.gov/20586434
Publikováno v:
Journal of medicinal chemistry. 48(23)
In large-scale virtual screening (VS) campaigns, data are often computed for millions of compounds to identify leads, but there remains the task of prioritizing VS “hits” for experimental assays and the dilemma of assessing true/false positives.
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::b79ff606d26d85471768315d8d866082
https://pubmed.ncbi.nlm.nih.gov/16279807
https://pubmed.ncbi.nlm.nih.gov/16279807
Publikováno v:
Journal of Chemical Information & Modeling; Jul2010, Vol. 50 Issue 7, p1296-1303, 8p
Autor:
Charles L. Lerman, F. H. Westheimer
Publikováno v:
Journal of the American Chemical Society. 98:179-184
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::71faceb83ff18b20c2234e6d77e4e3df
https://doi.org/10.1021/ja00417a028
https://doi.org/10.1021/ja00417a028
Publikováno v:
Journal of Chromatography A. 238:470-475
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::4b0406a87ffc23e0b042dd85530e30b5
https://doi.org/10.1016/s0021-9673(00)81333-3
https://doi.org/10.1016/s0021-9673(00)81333-3
Autor:
Charles L. Lerman, Eric B. Whitacre
Publikováno v:
The Journal of Organic Chemistry. 46:468-470
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::67febaf679d130fc886f04ae25822753
https://doi.org/10.1021/jo00315a053
https://doi.org/10.1021/jo00315a053
Autor:
Eric B. Whitacre, Charles L. Lerman
Publikováno v:
Chemischer Informationsdienst. 12
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::8582e484d927ddeabdb7db7e670cbf4b
https://doi.org/10.1002/chin.198126173
https://doi.org/10.1002/chin.198126173
Publikováno v:
Chemischer Informationsdienst. 5
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::ad3a653545abd3bc6d9e36a2ee2f3378
https://doi.org/10.1002/chin.197442369
https://doi.org/10.1002/chin.197442369
Autor:
Mildred Cohn, Charles L. Lerman
Publikováno v:
Biochemical and biophysical research communications. 97(1)
Summary The proton on C-6 of the pyridine ring of pyridoxal phosphate gives rise to a prominent emission in the photo-CIDNP NMR spectrum upon irradiation of a flavin-containing solution at an appropriate wavelength. When pyridoxal phosphate is covale
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::254e392f42d5da0847a10fd1671d573f
https://pubmed.ncbi.nlm.nih.gov/6779815
https://pubmed.ncbi.nlm.nih.gov/6779815
Autor:
Charles L. Lerman, F. H. Westheimer
Publikováno v:
Chemischer Informationsdienst. 7
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::84c8b374368400746b4378fc250f4709
https://doi.org/10.1002/chin.197613292
https://doi.org/10.1002/chin.197613292