Zobrazeno 1 - 3
of 3
pro vyhledávání: '"Saeid Ekrami"'
Publikováno v:
Scientific Reports, Vol 14, Iss 1, Pp 1-13 (2024)
Abstract In this study, the conformational potential energy surfaces of Amylmetacresol, Benzocaine, Dopamine, Betazole, and Betahistine molecules were scanned and analyzed using the neural network architecture ANI-2 × and ANI-1ccx, the force field m
Externí odkaz:
https://doaj.org/article/ad5d0bca379643119eab8bc1534200fa
Autor:
Saeid Ekrami, Jérôme F. L. Duval, Grégory Francius, Manon Cervulle, Christophe Gantzer, Xavier Bellanger, Eloïse Clément
Publikováno v:
ACS Applied Bio Materials
ACS Applied Bio Materials, ACS Publications, 2021, 4 (3), pp.2614-2627. ⟨10.1021/acsabm.0c01595⟩
ACS Applied Bio Materials, ACS Publications, 2021, 4 (3), pp.2614-2627. ⟨10.1021/acsabm.0c01595⟩
International audience; The elaboration of efficient hydrogel-based materials with antimicrobial properties requires a refined control of defining their physicochemical features, which includes mechanical stiffness, so as to properly mediate their an
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::57e903d7edd2c4c13d1d34d353445d2c
https://hal.univ-lorraine.fr/hal-03150724v2/file/mt-2020-01155b_R2_vf.pdf
https://hal.univ-lorraine.fr/hal-03150724v2/file/mt-2020-01155b_R2_vf.pdf
Autor:
Saeid Ekrami, Hamid Reza Shamlouei
Publikováno v:
Journal of Porphyrins and Phthalocyanines. 22:640-645
The Density Functional Theory (DFT) method was employed to study the properties of the C[Formula: see text] complex with tetraphenylporphyrin (TPP). Calculations were performed in vacuum and in the presence of different solvents. Strong interaction b
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::e2d8761a1211b3b278f571cd19ba821f
https://doi.org/10.1142/s1088424618500773
https://doi.org/10.1142/s1088424618500773