Maria Grishina
Maria Grishina
ЮУрГУ, высшая медико-биологическая школа, лаборатория компьютерного моделирования лекарственных средств
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Online chemical modeling environment (OCHEM): web platform for data storage, model development and publishing of chemical information
I Sushko, S Novotarskyi, R Körner, AK Pandey, M Rupp, W Teetz, ...
Journal of computer-aided molecular design 25 (6), 533-554, 2011
2872011
Principles for 3D/4D QSAR classification of drugs
V Potemkin, M Grishina
Drug discovery today 13 (21-22), 952-959, 2008
552008
A new paradigm for pattern recognition of drugs
VA Potemkin, MA Grishina
Journal of Computer-aided Molecular Design 22 (6-7), 489-505, 2008
532008
Technique for energy decomposition in the study of “receptor-ligand” complexes
VA Potemkin, AA Pogrebnoy, MA Grishina
Journal of chemical information and modeling 49 (6), 1389-1406, 2009
462009
A Method for Multiconformational Modeling of the Three‐Dimensional Shape of a Molecule
EV Bartashevich, VA Potemkin, MA Grishina, AV Belik
Journal of Structural Chemistry 43 (6), 1033-1039, 2002
322002
Mutations in fd phage major coat protein modulate affinity of the displayed peptide
GA Kuzmicheva, PK Jayanna, AM Eroshkin, MA Grishina, ...
Protein Engineering, Design & Selection 22 (10), 631-639, 2009
232009
3D QSAR analysis and pharmacophore modelling of p38 MAP kinase inhibitors using BiS algorithm
K Mikuchina, V Potemkin, M Grishina, S Laufer
Arch. Pharm. Pharm. Med. Chem 335 (1), C74, 2002
232002
Theoretical investigation of the antituberculous activity of membranotropic podands
VA Potemkin, MA Grishina, OV Fedorova, GL Rusinov, IG Ovchinnikova, ...
Pharmaceutical Chemistry Journal 37 (9), 468-472, 2003
212003
Multiconformational method for analyzing the biological activity of molecular structures
VA Potemkin, RM Arslambekov, EV Bartashevich, MA Grishina, AV Belik, ...
Journal of Structural Chemistry 43 (6), 1045-1049, 2002
212002
Genetic algorithm for predicting structures and properties of molecular aggregates in organic substances
MA Grishina, EV Bartashevich, VA Potemkin, AV Belik
Journal of Structural Chemistry 43 (6), 1040-1044, 2002
212002
Modeling of drug molecule orientation within a receptor cavity in the BiS algorithm framework
VA Potemkin, MA Grishina, EV Bartashevich
Journal of Structural Chemistry 48 (1), 155-160, 2007
192007
Theoretical investigation of electron structure and surface morphology of titanium dioxide anatase nano-particles
M Grishina, O Bolshakov, A Potemkin, V Potemkin
Computational and Theoretical Chemistry 1091, 122-136, 2016
162016
Quantitative relationship between structure and antibacterial activity of quinolone derivatives
VA Potemkin, MA Grishina, AV Belik, ON Chupakhin
Pharmaceutical Chemistry Journal 36 (1), 22-25, 2002
132002
Grid-based continual analysis of molecular interior for drug discovery, QSAR and QSPR
AV Potemkin, MA Grishina, VA Potemkin
Current Drug Discovery Technologies 14 (3), 181-205, 2017
122017
Internet resources for drug discovery and design
V Potemkin, A Potemkin, M Grishina
Current Topics in Medicinal Chemistry 18 (22), 1955-1975, 2018
112018
Grid-based technologies for in silico screening and drug design
V Potemkin, M Grishina
Current Medicinal Chemistry 25 (29), 3526-3537, 2018
112018
Synthesis, structure, and complexing ability of fluoroalkyl-containing 2, 2′-(biphenyl-4, 4′-diyldihydrazono) bis (1, 3-dicarbonyl) compounds
IV Shchur, OG Khudina, YV Burgart, VI Saloutin, MA Grishina, ...
Russian Journal of Organic Chemistry 43 (12), 1781-1787, 2007
112007
Antiplasmodial activity of hydroxyethylamine analogs: synthesis, biological activity and structure activity relationship of plasmepsin inhibitors
AK Singh, V Rajendran, S Singh, P Kumar, Y Kumar, A Singh, W Miller, ...
Bioorganic & medicinal chemistry 26 (13), 3837-3844, 2018
102018
Geometric isomerism in the series of fluoroalkyl-containing 1, 2, 3-trione 2-arylhydrazones
OG Khudina, EV Shchegol’kov, YV Burgart, MI Kodess, VI Saloutin, ...
Russian Journal of Organic Chemistry 43 (3), 380-387, 2007
102007
Adsorption of Native Amino Acids on Nanocrystalline TiO2: Physical Chemistry, QSPR, and Theoretical Modeling
A Shchelokov, N Palko, V Potemkin, M Grishina, R Morozov, E Korina, ...
Langmuir 35 (2), 538-550, 2018
82018
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Artigos 1–20