Zobrazeno 1 - 3
of 3
pro vyhledávání: '"D. J. MCNEILLIE"'
Publikováno v:
International Journal of Quantum Chemistry. 16:203-221
Small perturbations to the conformation of a flexible drug molecule due to substituent changes allow scope for exploring the effect of population shifts in the conformation without necessarily perturbing the basic mode of binding to the receptor. The
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::6d24fc7f43cabb798facdff2a2388e3b
https://doi.org/10.1002/qua.560160714
https://doi.org/10.1002/qua.560160714
Publikováno v:
International Journal of Quantum Chemistry. 14:221-243
Estimates of the relative free energies of O H—O bonding in 2,6-dialkyl hindered phenol-water interactions have been made based on CNDO/2 potentials. To compute the free energies it was found necessary to examine a number of phenolic conformers for
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::e6f77147b98b62af492d6c156bc0f901
https://doi.org/10.1002/qua.560140723
https://doi.org/10.1002/qua.560140723
Publikováno v:
Chemischer Informationsdienst. 8
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::232f33c973102ad4916ef1a776f63ba2
https://doi.org/10.1002/chin.197736167
https://doi.org/10.1002/chin.197736167