Zobrazeno 1 - 4
of 4
pro vyhledávání: '"S. N. Gabin"'
Publikováno v:
The Journal of Physical Chemistry B. 111:13748-13755
Cavitation free energy DeltaG(cav), corresponding to the formation of an excluded volume cavity in water, is calculated for a large set of organic molecules employing the thermodynamic integration procedure, which is realized as the original two-step
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::bf8bbf0c042eb213ac391f9c70e1d753
https://doi.org/10.1021/jp076266a
https://doi.org/10.1021/jp076266a
Publikováno v:
The journal of physical chemistry. B. 112(48)
We present results of the investigation of the cavity creation/annihilation effect in view of formation of the protein-ligand (PL) complexes. The protein and ligand were considered as rigid structures. The change of the cavity creation/annihilation f
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::f25ac6d19cf5fa23fba49c74fd0c7276
https://pubmed.ncbi.nlm.nih.gov/18991438
https://pubmed.ncbi.nlm.nih.gov/18991438
Publikováno v:
Journal of Physical Chemistry B; Dec2008, Vol. 112 Issue 48, p15355-15360, 6p
Publikováno v:
Journal of Physical Chemistry B; Dec2007, Vol. 111 Issue 49, p13748-13755, 8p