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III Международная летняя школа-конференция по хемоинформатике (Казань, 5-7 июля 2017 г.)
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Recent submissions
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III Международная летняя школа-конференция по хемоинформатике (Казань, 5-7 июля 2017 г.): Recent submissions
Now showing items 1-20 of 72
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STRUCTURE-BASED VIRTUAL SCREENING OF NEW SELECTIVE INHIBITORS OF IMIDAZOLEGLYCEROL-PHOSPHATE DEHYDRATASE FROM MYCOBACTERIUM TUBERCULOSIS
Mandzhieva J.
;
Timofeev V.
;
Sidorov-Biryukov D.
;
Podshivalov D.
(
2017
)
QUANTUM-CHEMICAL QSAR-MODELING OF NA+/H+ EXCHANGER 1 INHIBITORS BASED ON THE CONSENSUS OF NEURAL NETWORKS
Gnidenko M.
;
Vassiliev P.
;
Gurova N.
;
Muravyeva V.
(
2017
)
PREDICTION OF METABOLIC TRANSFORMATIONS OF ORGANIC COMPOUNDS BY CYP1A2 ISOENZYME USING СONDENSED GRAPH OF REACTIONS
Khakimova A.
;
Nugmanov R.
;
Madzhidov T.
;
Varnek A.
(
2017
)
QUANTUM-CHEMICAL ESTIMATION OF THE DIMERIZATION EFFECT ON THE ACID-BASE PROPERTIES OF GLYCINE
Pustolaikina I.A.
;
Kutzhanova K.Zh.
;
Kurmanova A.F.
(
2017
)
DIRECTED SEARCH FOR NOVEL Α-GLUCOSIDASE INHIBITORS USING STRUCTURE SIMILARITY WITH TESTED SUBSTANCES
Klochkov V.
;
Vassiliev P.
;
Babkov D.
(
2017
)
QSAR-MODELING OF BIS-AZAAROMATIC QUATERNARY AMMONIUM ORGANIC SALTS WITH NOOTROPIC ACTIVITY
Akbasheva Ju.Z.
;
Rakhmatullina S.R.
;
Khayrullina V.R.
;
Gerchikov A.Ja.
(
2017
)
IN SILICO TARGETS AND PATHWAYS PREDICTION FOR A NOVEL MULTICOMPONENT POLYPHENOLIC LIGNIN-DERIVED COMPOSITION BP-CX
Gubareva E.A.
;
Izotova E.I.
;
Fedoros E.I.
;
Panchenko A.V.
(
2017
)
HOMOLOGY MODELING AND MOLECULAR DYNAMICS STUDIES OF THE OLIGOPEPTIDASE B FROM SERRATIA PROTEAMACULANS. INSIGHTS INTO THE ENZYMATIC ACTIVATION MECHANISM
Agapova J.
;
Talyzina A.
;
Karlinsky D.
;
Podshivalov D.
;
Zeyfman J.
;
Timofeev V.
;
Rakitina T.
(
2017
)
ARTIFICIAL NEURAL NETWORKS, SUPPORT VECTOR MACHINES AND DECISION TREES FOR ANTI HIV ACTIVITY PREDICTION OF ORGANIC COMPOUNDS
Hdoufane I.
;
Bjij I.
;
Cherqaoui D.
(
2017
)
DEVELOPMENT OF A PREDICTION' PERFORMANCE METRIC FOR CHEMICAL REACTIONS' MODELS
Akhmetshin T.N.
;
Nugmanov R.I.
;
Madzhidov T.I.
;
Varnek A.
(
2017
)
AUTOMATIC SYSTEM FOR PREDICTION OF OPTIMAL CONDITION FOR HYDROGENATION REACTIONS
Afonina V.
;
Lin A.
;
Madzhidov T.
;
Nugmanov R.
;
Antipin I.
;
Klimchuk O.
;
Varnek A.
(
2017
)
A NEW APPROACH TO PREDICT OPTIMAL SALINITIES FOR SURFACTANT FORMULATIONS
Martin X.
;
Oukhemanou F.
;
Creton B.
(
2017
)
MOLECULAR RECOMMENDATION ENGINE FOR MULTI-PROPERTIES OPTIMIZATION
Clary A.
;
Gohier A.
;
Theret I.
;
Ducrot P.
(
2017
)
QUANTUM CHEMICAL STUDY OF N-SUBSTITUTED ARYLAMINES AS ANALYTICAL REAGENTS
Burmistrova N.A.
;
Zubareva I.S.
(
2017
)
3D MOLECULAR FRAGMENT DESCRIPTORS FOR STRUCTURE-PROPERTY MODELING
Solov'ev V.
;
Solovev A.
(
2017
)
THE INFLUENCE OF LEWIS BASES ON THE LIQUID-CRYSTALLINE AND PHOTOPHYSICAL PROPERTIES OF LANTHANIDE(III) COMPLEXES
Romanova K.A.
;
Galyametdinov Yu.G.
(
2017
)
COMPUTER-AIDED PREDICTION OF MULTITARGET PROFILES: CASE STUDIES FOR CLOZAPINE AND DASATINIB
Murtazalieva K.
;
Poroikov V.
(
2017
)
A COMPUTATIONAL STUDY OF METAL-ORGANIC FRAMEWORKS OXIDATIVE DEGRADATION FOR THE DESIGN OF TUNABLE SMART DRUG DELIVERY SYSTEMS
Khramenkova E.
;
Pidko E.
(
2017
)
P38α MAP KINASE INHIBITORS: PHARMACOPHORE MODELING, 3D-QSAR, DOCKING AND DRUG LIKELINESS PREDICTION
Khan M.F.
;
Verma G.
;
Akhtar W.
;
Alam M.M.
;
Shaquiquzzaman M.
(
2017
)
HOW SHOULD ONE USE AVAILABLE DATA TO BE SUCCESSFUL IN COMPUTER-AIDED SEARCH FOR NOVEL KINASE INHIBITORS?
Pogodin P.
;
Lagunin A.
;
Filimonov D.
;
Rudik A.
;
Poroikov V.
(
2017
)
Now showing items 1-20 of 72
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