Zobrazeno 1 - 9
of 9
pro vyhledávání: '"Alexey V. Ishchenko"'
Autor:
Vladimir A. Morozov, Bogdan I. Lazoryak, Aleksandra A. Savina, Elena G. Khaikina, Ivan I. Leonidov, Alexey V. Ishchenko, Dina V. Deyneko
Publikováno v:
Materials, Vol 16, Iss 12, p 4350 (2023)
Gd3+ and Sm3+ co-activation, the effect of cation substitutions and the creation of cation vacancies in the scheelite-type framework are investigated as factors influencing luminescence properties. AgxGd((2−x)/3)−0.3−ySmyEu3+0.3☐(1−2x)/3WO4
Externí odkaz:
https://doaj.org/article/5519e5718b74414da1bce1292d942905
Autor:
Deyneko, Vladimir A. Morozov, Bogdan I. Lazoryak, Aleksandra A. Savina, Elena G. Khaikina, Ivan I. Leonidov, Alexey V. Ishchenko, Dina V.
Publikováno v:
Materials; Volume 16; Issue 12; Pages: 4350
Gd3+ and Sm3+ co-activation, the effect of cation substitutions and the creation of cation vacancies in the scheelite-type framework are investigated as factors influencing luminescence properties. AgxGd((2−x)/3)−0.3−ySmyEu3+0.3☐(1−2x)/3WO4
Autor:
Alexey V. Ishchenko, Ivan I. Leonidov, Bogdan I. Lazoryak, Sergey Yu. Stefanovich, Vladimir A. Morozov, Dina V. Deyneko, Evgeniya S. Zhukovskaya, Alexei A. Belik, O. V. Baryshnikova
Publikováno v:
Journal of Alloys and Compounds. 787:1301-1309
Solid solution of Ca10.5–1.5xYbx(PO4)7 (0 ≤ x ≤ 1) was synthesized in the β-Са3(РО4)2-type structure by a standard solid-state method. Second-harmonic generation, differential scanning calorimetry, and dielectric measurements showed the pr
Publikováno v:
Accounts of Chemical Research. 35:261-269
Computational methods are becoming increasingly used in the drug discovery process. In this Account, we review a novel computational method for lead discovery. This method, called CombiSMoG for "combinatorial small molecule growth", is based on two c
Autor:
Chu-Young Kim, Robert G. Chapman, David W. Christianson, George Topalov, Eugene I. Shakhnovich, George M. Whitesides, Bartosz A. Grzybowski, Alexey V. Ishchenko
Publikováno v:
Proceedings of the National Academy of Sciences. 99:1270-1273
Combinatorial small molecule growth algorithm was used to design inhibitors for human carbonic anhydrase II. Two enantiomeric candidate molecules were predicted to bind with high potency (with R isomer binding stronger than S), but in two distinct co
Autor:
Bartosz A. Grzybowski, and George M. Whitesides, Robert S. DeWitte, Eugene I. Shakhnovich, Alexey V. Ishchenko
Publikováno v:
The Journal of Physical Chemistry B. 104:7293-7298
This paper describes the derivation of a Knowledge-Based Potential for intermolecular interactions from the statistical information stored in the Cambridge Structural Database. We develop a statistical mechanical method that relates the occurrences o
Publikováno v:
Journal of the American Chemical Society. 119:4608-4617
In this paper, we summarize three ligand design studies performed using the program SMoG, which was developed in our lab. The aim of this presentation is to communicate through examples the potenti...
Publikováno v:
Journal of medicinal chemistry. 45(13)
Computational lead design procedures require fast and accurate scoring functions to rank millions of generated virtual ligands for protein targets. In this article, we present an improved version of the SMoG scoring function, called SMoG2001. This fu
Publikováno v:
Protein science : a publication of the Protein Society. 9(4)
We propose a self-consistent approach to analyze knowledge-based atom-atom potentials used to calculate protein-ligand binding energies. Ligands complexed to actual protein structures were first built using the SMoG growth procedure (DeWitte & Shakhn