Zobrazeno 1 - 9
of 9
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
Autor:
Sedov, Igor, Magsumov, Timur
Publikováno v:
Journal of Chemical Physics; 10/7/2020, Vol. 153 Issue 13, p1-11, 11p
Autor:
Grigoriev, F. V., Sulimov, V. B.
Publikováno v:
Lobachevskii Journal of Mathematics; Nov2019, Vol. 40 Issue 11, p1781-1787, 7p
Publikováno v:
Moscow University Physics Bulletin; Mar2019, Vol. 74 Issue 2, p171-175, 5p
Publikováno v:
Russian Journal of Physical Chemistry; Feb2010, Vol. 84 Issue 2, p195-202, 8p
Publikováno v:
Russian Journal of Physical Chemistry; Apr2009, Vol. 83 Issue 4, p565-574, 10p