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1

Advances in Docking

Sulimov, Vladimir B., Kutov, Danil C., Sulimov, Alexey V.

Journal:

Current Medicinal Chemistry

Année:

2020

Fichier:

PDF, 1.21 MB

2020

2

Compacted Modified Propellant Blocks as Traveling Charge in the Hybrid Shot Scheme

Ermolaev, Boris Sergeevich, Romankov, Alexander V., Sulimov, Alexey A., Crowley, Anna B.

Journal:

Propellants, Explosives, Pyrotechnics

Année:

2014

Langue:

english

Fichier:

PDF, 403 KB

english, 2014

3

On the origin of near-IR luminescence in Bi-doped materials (I). Generation of low-valence bismuth species by Bi3+ and Bi0 synproportionation

Alexey N. Romanov, Zukhra T. Fattakhova, Denis M. Zhigunov, Vladimir N. Korchak, Vladimir B. Sulimov

Journal:

Optical Materials

Année:

2011

Langue:

english

Fichier:

PDF, 341 KB

english, 2011

4

Near-IR luminescence from subvalent bismuth species in fluoride glass

Alexey N. Romanov, Elena V. Haula, Zukhra T. Fattakhova, Alexander A. Veber, Vladimir B. Tsvetkov, Denis M. Zhigunov, Vladimir N. Korchak, Vladimir B. Sulimov

Journal:

Optical Materials

Année:

2011

Langue:

english

Fichier:

PDF, 582 KB

english, 2011

5

Subvalent bismuth monocation Bi+ photoluminescence in ternary halide crystals KAlCl4 and KMgCl3

Romanov, Alexey N., Veber, Alexander A., Fattakhova, Zukhra T., Usovich, Olga V., Haula, Elena V., Trusov, Lev. A., Kazin, Pavel E., Korchak, Vladimir N., Tsvetkov, Vladimir B., Sulimov, Vladimir B.

Journal:

Journal of Luminescence

Année:

2013

Langue:

english

Fichier:

PDF, 284 KB

english, 2013

6

Estimation of Bi+ monocation crystal ionic radius by quantum chemical simulation

Romanov, Alexey N., Grigoriev, Fedor V., Sulimov, Vladimir B.

Journal:

Computational and Theoretical Chemistry

Année:

2013

Langue:

english

Fichier:

PDF, 541 KB

english, 2013

7

Application of the Docking Program SOL for CSAR Benchmark

Sulimov, Alexey V., Kutov, Danil C., Oferkin, Igor V., Katkova, Ekaterina V., Sulimov, Vladimir B.

Journal:

Journal of Chemical Information and Modeling

Année:

2013

Langue:

english

Fichier:

PDF, 1.65 MB

english, 2013

8

On the origin of near-IR luminescence in Bi-doped materials (II) Subvalent monocation Bi^+ and cluster Bi_5 ^3+ luminescence in AlCl_3/ZnCl_2/BiCl_3 chloride glass

Romanov, Alexey N., Fattakhova, Zukhra T., Veber, Alexander A., Usovich, Olga V., Haula, Elena V., Korchak, Vladimir N., Tsvetkov, Vladimir B., Trusov, Lev A., Kazin, Pavel E., Sulimov, Vladimir B.

Journal:

Année:

2012

Langue:

english

Fichier:

PDF, 1.04 MB

english, 2012

9

Surface Generalized Born Method: A Simple, Fast, and Precise Implicit Solvent Model beyond the Coulomb Approximation

Romanov, Alexey N., Jabin, Sergey N., Martynov, Yaroslav B., Sulimov, Alexey V., Grigoriev, Fedor V., Sulimov, Vladimir B.

Journal:

Journal of Physical Chemistry A

Année:

2004

Langue:

english

Fichier:

PDF, 70 KB

english, 2004

10

Ab Initio Calculation of Torsion and Inversion Barriers of the Amino Group in Aminopyrimidines

Golovacheva, Anna Yu., Romanov, Alexey N., Sulimov, Vladimir B.

Journal:

Journal of Physical Chemistry A

Année:

2005

Langue:

english

Fichier:

PDF, 68 KB

english, 2005

11

An intuitive risk factors search algorithm: usage of the Bayesian network technique in personalized medicine

Maslennikov, Evgeny D., Sulimov, Alexey V., Savkin, Igor A., Evdokimova, Marina A., Zateyshchikov, Dmitry A., Nosikov, Valery V., Sulimov, Vladimir B.

Journal:

Journal of Applied Statistics

Année:

2015

Langue:

english

Fichier:

PDF, 338 KB

english, 2015

12

Evaluation of the novel algorithm of flexible ligand docking with moveable target-protein atoms

Sulimov, Alexey V., Zheltkov, Dmitry A., Oferkin, Igor V., Kutov, Danil C., Katkova, Ekaterina V., Tyrtyshnikov, Eugene E., Sulimov, Vladimir B.

Journal:

Computational and Structural Biotechnology Journal

Année:

2017

Langue:

english

Fichier:

PDF, 520 KB

english, 2017

13

Hydrolysis rate constants and activation parameters for phosphate- and phosphonate-bridged phthalonitrile monomers under acid, neutral and alkali conditions

Belsky, Kirill S., Sulimov, Artem V., Bulgakov, Boris A., Babkin, Alexandr V., Kepman, Alexey V.

Journal:

Année:

2017

Langue:

english

Fichier:

PDF, 1.03 MB

english, 2017

14

New generation of docking programs: supercomputer validation of force fields and quantum-chemical methods for docking

Sulimov, Alexey V., Kutov, Danil C., Katkova, Ekaterina V., Ilyin, Ivan S., Sulimov, Vladimir B.

Journal:

Journal of Molecular Graphics and Modelling

Année:

2017

Langue:

english

Fichier:

PDF, 761 KB

english, 2017

15

Evaluation of Docking Target Functions by the Comprehensive Investigation of Protein-Ligand Energy Minima

Oferkin, Igor V., Katkova, Ekaterina V., Sulimov, Alexey V., Kutov, Danil C., Sobolev, Sergey I., Voevodin, Vladimir V., Sulimov, Vladimir B.

Journal:

Advances in Bioinformatics

Année:

2015

Langue:

english

Fichier:

PDF, 1.44 MB

english, 2015

16

Application of Molecular Modeling to Development of New Factor Xa Inhibitors

Sulimov, Vladimir B., Gribkova, Irina V., Kochugaeva, Maria P., Katkova, Ekaterina V., Sulimov, Alexey V., Kutov, Danil C., Shikhaliev, Khidmet S., Medvedeva, Svetlana M., Krysin, Michael Yu., Sinauri

Journal:

BioMed Research International

Année:

2015

Langue:

english

Fichier:

PDF, 2.60 MB

english, 2015

17

New factor Xa inhibitors based on 1,2,3,4-tetrahydroquinoline developed by molecular modelling

Ilin, Ivan, Lipets, Elena, Sulimov, Alexey, Kutov, Danil, Shikhaliev, Khidmet, Potapov, Andrey, Krysin, Michael, Zubkov, Fedor, Sapronova, Lyudmila, Ataullakhanov, Fazoyl, Sulimov, Vladimir

Journal:

Journal of Molecular Graphics and Modelling

Année:

2019

Langue:

english

Fichier:

PDF, 2.15 MB

english, 2019

18

[IEEE 2019 Russian Open Conference on Radio Wave Propagation (RWP) - Kazan, Russia (2019.7.1-2019.7.6)] 2019 Russian Open Conference on Radio Wave Propagation (RWP) - Contribution Estimation of Malicious External Modulation into Phase of Multipath Signal

Galiev, Aidar A., Sulimov, Amir I., Karpov, Arkadiy V., Simatov, Vadim L., Smolyakov, Alexey D.

Année:

2019

Langue:

english

Fichier:

PDF, 1.79 MB

english, 2019

19

Synthesis, Docking, and In Vitro Anticoagulant Activity Assay of Hybrid Derivatives of Pyrrolo[3,2,1-ij]Quinolin-2(1H)-one as New Inhibitors of Factor Xa and Factor XIa

Novichikhina, Nadezhda, Ilin, Ivan, Tashchilova, Anna, Sulimov, Alexey, Kutov, Danil, Ledenyova, Irina, Krysin, Mikhail, Shikhaliev, Khidmet, Gantseva, Anna, Gantseva, Ekaterina, Podoplelova, Nadezhda

Journal:

Année:

2020

Fichier:

PDF, 3.36 MB

2020