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Vladimir Potemkin
Vladimir Potemkin
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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, 533-554, 2011
5882011
ToxAlerts: a web server of structural alerts for toxic chemicals and compounds with potential adverse reactions
I Sushko, E Salmina, VA Potemkin, G Poda, IV Tetko
Journal of chemical information and modeling 52 (8), 2310-2316, 2012
2432012
Atoms-in-molecules study of intra-and intermolecular bonding in the pentaerythritol tetranitrate crystal
EA Zhurova, AI Stash, VG Tsirelson, VV Zhurov, EV Bartashevich, ...
Journal of the American Chemical Society 128 (45), 14728-14734, 2006
1452006
A new paradigm for pattern recognition of drugs
VA Potemkin, MA Grishina
Journal of Computer-Aided Molecular Design 22, 489-505, 2008
812008
Principles for 3D/4D QSAR classification of drugs
V Potemkin, M Grishina
Drug discovery today 13 (21-22), 952-959, 2008
782008
In silico validation of novel inhibitors of malarial aspartyl protease, plasmepsin V and antimalarial efficacy prediction
PP Sharma, S Kumar, K Kaushik, A Singh, IK Singh, M Grishina, ...
Journal of Biomolecular Structure and Dynamics 40 (18), 8352-8364, 2022
672022
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
672009
Determination of covalent bond orders and atomic valence indices using topological features of the experimental electron density
VG Tsirelson, EV Bartashevich, AI Stash, VA Potemkin
Acta Crystallographica Section B: Structural Science 63 (1), 142-150, 2007
632007
Molecular and crystal properties of ethyl 4, 6-dimethyl-2-thioxo-1, 2, 3, 4-tetrahydropyrimidine-5-carboxylate from experimental and theoretical electron densities
VG Tsirelson, AI Stash, VA Potemkin, AA Rykounov, AD Shutalev, ...
Acta Crystallographica Section B: Structural Science 62 (4), 676-688, 2006
522006
Autowave processes of forming gels as a cause of the coloring of oxyhydrate gels (the chromatic effect) of some rare earth metals (yttrium, gadolinium)
YI Sukharev, VA Potemkin, BA Markov
Colloids and Surfaces A: Physicochemical and Engineering Aspects 194 (1-3 …, 2001
492001
Compressibility of gas hydrates
AY Manakov, AY Likhacheva, VA Potemkin, AG Ogienko, AV Kurnosov, ...
ChemPhysChem 12 (13), 2476-2484, 2011
452011
Internet resources for drug discovery and design
V Potemkin, A Potemkin, M Grishina
Current Topics in Medicinal Chemistry 18 (22), 1955-1975, 2018
432018
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, 1033-1039, 2002
392002
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
342009
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
332017
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
322018
Kinetic resolution of (±)-2, 3-dihydro-3-methyl-4H-1, 4-benzoxazine in the reaction with (S)-naproxen chloride: a theoretical study
VA Potemkin, VP Krasnov, GL Levit, EV Bartashevich, IN Andreeva, ...
Mendeleev Communications 14 (2), 69-71, 2004
322004
A new approach to predicting the thermodynamic parameters of substances from molecular characteristics
VA Potemkin, EV Bartashevich, AV Belik
Russian Journal of Physical Chemistry A 70 (3), 411-415, 1996
311996
Grid-based technologies for in silico screening and drug design
V Potemkin, M Grishina
Current Medicinal Chemistry 25 (29), 3526-3537, 2018
302018
[4+ 2]-Cycloaddition of 3, 6-bis (3, 5-dimethyl-4-R-pyrazol-1-yl)-1, 2, 4, 5-tetrazines with alkenes
GL Rusinov, RI Ishmetova, NI Latosh, IN Ganebnych, ON Chupakhin, ...
Russian Chemical Bulletin 49, 355-362, 2000
272000
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