Zobrazeno 1 - 7
of 7
pro vyhledávání: '"Felix S Dukhovich"'
Role of water in thermodynamic of molecular recognition processes in the binding of a ligand to a receptor is extremely important. However, there is still a significant lack of specific knowledge to the extent of water influence on the process.
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::8e6ee9e0e8a7cb376808dc7b6f2271b9
https://doi.org/10.26434/chemrxiv.13252610.v1
https://doi.org/10.26434/chemrxiv.13252610.v1
The computation model for evaluation of conformational entropy changes upon binding ligands to receptors is described. Then, changes of conformational entropy component and of binding free energy are compared. Interest to conformational entropy arise
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::82b09ed59d17a50896c9b1d7b8077825
https://doi.org/10.1101/2020.04.06.026302
https://doi.org/10.1101/2020.04.06.026302
Autor:
M. B. Darkhovskii, Felix S. Dukhovich
Publikováno v:
Journal of Molecular Recognition. 16:191-202
When a drug molecule approaches a non-specific acceptor both molecules are in electrostatic fields of equal sign which prevents drug-acceptor complex formation. At the same time, the drug-acceptor system does not achieve the thermodynamic global mini
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::45299beca157de9fbb024786f8128c2f
https://doi.org/10.1002/jmr.616
https://doi.org/10.1002/jmr.616
Publikováno v:
Pharmaceutical Chemistry Journal. 36:248-254
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::8ac3367f7f6980fbff0a290f0970e3e8
https://doi.org/10.1023/a:1020569429454
https://doi.org/10.1023/a:1020569429454
Publikováno v:
Pharmaceutical Chemistry Journal. 35:260-265
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::2bd5b534d2dd6c81b8b3e9963241060d
https://doi.org/10.1023/a:1011965322231
https://doi.org/10.1023/a:1011965322231
Publikováno v:
Chemistrybiodiversity. 2(3)
In contrast to antagonists, agonists tend to induce considerable conformational changes in their receptors, resulting in opening of ion channels, either directly or via secondary messengers. These conformational transformations require great energy e
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::f47bcafb6b05e297714902cdc42bda08
https://pubmed.ncbi.nlm.nih.gov/17191984
https://pubmed.ncbi.nlm.nih.gov/17191984
Publikováno v:
Journal of Molecular Recognition; Jul/Aug2003, Vol. 16 Issue 4, p191-202, 12p