Ghermes G. Chilov : rechercher sur Z-Library

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1

Resolution of (RS)-Phenylglycinonitrile by Penicillin Acylase Catalyzed Acylation in Aqueous Medium.

Ghermes G. Chilov, Harold M. Moody, Wilhelmus H. J. Boesten, Vytas K. Svedas

Journal:

Année:

2003

Fichier:

PDF, 97 KB

2003

2

ChemInform Abstract: The First Synthesis and Molecular Docking Studies of Diastereomerically Pure Substituted 4-Amino-7-hydroxyheptanoic Acids.

Alexey Yu. Sukhorukov, Svetlana O. Andryushkevich, Ghermes G. Chilov, Alexey A. Zeifman, Igor V. Svitanko, Sema L. Ioffe

Journal:

Année:

2011

Fichier:

PDF, 26 KB

2011

3

Novel Antitumor L-Arabinose Derivative of Indolocarbazole with High Affinity to DNA

Dmitry N. Kaluzhny, Victor V. Tatarskiy Jr., Lyubov G. Dezhenkova, Irina L. Plikhtyak, Tatyana D. Miniker, Anna K. Shchyolkina, Sergey A. Strel'tsov, Ghermes G. Chilov, Fedor N. Novikov, Irina Yu. Kub

Journal:

Année:

2009

Langue:

english

Fichier:

PDF, 399 KB

english, 2009

4

Thermodynamic and kinetic stability of penicillin acylase from Escherichia coli

Valerij Ya. Grinberg, Tatiana V. Burova, Natalia V. Grinberg, Tatiana A. Shcherbakova, Dorel T. Guranda, Ghermes G. Chilov, Vytas K. Švedas

Journal:

Biochimica et Biophysica Acta (BBA) - Proteins and Proteomics

Année:

2008

Langue:

english

Fichier:

PDF, 790 KB

english, 2008

5

Molecular docking: theoretical background, practical applications and perspectives

Fedor N. Novikov, Ghermes G. Chilov

Journal:

Mendeleev Communications

Année:

2009

Langue:

english

Fichier:

PDF, 900 KB

english, 2009

6

Force field parametrization for 6-aminopenicillanic acid

Oleg V Stroganov, Ghermes G Chilov, Vytas K Švedas

Journal:

Journal of Molecular Structure: THEOCHEM

Année:

2003

Langue:

english

Fichier:

PDF, 137 KB

english, 2003

7

Resolution of (RS)-phenylglycinonitrile by penicillin acylase-catalyzed acylation in aqueous medium

Ghermes G. Chilov, Harold M. Moody, Wilhelmus H.J. Boesten, Vytas K. Švedas

Journal:

Tetrahedron: Asymmetry

Année:

2003

Langue:

english

Fichier:

PDF, 128 KB

english, 2003

8

TSAR, a new graph–theoretical approach to computational modeling of protein side-chain flexibility: Modeling of ionization properties of proteins

Oleg V. Stroganov, Fedor N. Novikov, Alexey A. Zeifman, Viktor S. Stroylov, Ghermes G. Chilov

Journal:

Proteins: Structure, Function, and Bioinformatics

Année:

2011

Langue:

english

Fichier:

PDF, 1.19 MB

english, 2011

9

Developing novel approaches to improve binding energy estimation and virtual screening: a PARP case study

Fedor N. Novikov, Viktor S. Stroylov, Oleg V. Stroganov, Val Kulkov, Ghermes G. Chilov

Journal:

Journal of Molecular Modeling

Année:

2009

Langue:

english

Fichier:

PDF, 274 KB

english, 2009

10

Improving performance of docking-based virtual screening by structural filtration

Fedor N. Novikov, Viktor S. Stroylov, Oleg V. Stroganov, Ghermes G. Chilov

Journal:

Journal of Molecular Modeling

Année:

2010

Langue:

english

Fichier:

PDF, 232 KB

english, 2010

11

Quantitative characterization of the nucleophile reactivity in penicillin acylase-catalyzed acyl transfer reactions

Maxim I Youshko, Ghermes G Chilov, Tatyana A Shcherbakova, Vytas K Švedas

Journal:

Biochimica et Biophysica Acta (BBA) - Proteins and Proteomics

Année:

2002

Langue:

english

Fichier:

PDF, 169 KB

english, 2002

12

Lead Finder: An Approach To Improve Accuracy of Protein−Ligand Docking, Binding Energy Estimation, and Virtual Screening

Kulkov, Val, Chilov, Ghermes G., Stroganov, Oleg V., Novikov, Fedor N., Stroylov, Viktor S.

Journal:

Journal of Chemical Information and Modeling

Année:

2008

Langue:

english

Fichier:

PDF, 275 KB

english, 2008

13

Rational design and synthesis of novel Syk-kinase inhibitors

Alexey A. Zeifman, Ilya Yu. Titov, Igor V. Svitanko, Tatiana V. Rakitina, Aleksey V. Lipkin, Viktor S. Stroylov, Oleg V. Stroganov, Fedor N. Novikov, Ghermes G. Chilov

Journal:

Mendeleev Communications

Année:

2012

Langue:

english

Fichier:

PDF, 190 KB

english, 2012

14

Lead Finder docking and virtual screening evaluation with Astex and DUD test sets

Fedor N. Novikov, Viktor S. Stroylov, Alexey A. Zeifman, Oleg V. Stroganov, Val Kulkov, Ghermes G. Chilov

Journal:

Journal of Computer-Aided Molecular Design

Année:

2012

Langue:

english

Fichier:

PDF, 200 KB

english, 2012

15

Hit clustering can improve virtual fragment screening: CDK2 and PARP1 case studies

Alexey A. Zeifman, Victor S. Stroylov, Fedor N. Novikov, Oleg V. Stroganov, Alexandra L. Zakharenko, Svetlana N. Khodyreva, Olga I. Lavrik, Ghermes G. Chilov

Journal:

Journal of Molecular Modeling

Année:

2012

Langue:

english

Fichier:

PDF, 1.53 MB

english, 2012

16

The first synthesis and molecular docking studies of diastereomerically pure substituted 4-amino-7-hydroxyheptanoic acids

Alexey Yu. Sukhorukov, Svetlana O. Andryushkevich, Ghermes G. Chilov, Alexey A. Zeifman, Igor V. Svitanko, Sema L. Ioffe

Journal:

Mendeleev Communications

Année:

2011

Langue:

english

Fichier:

PDF, 681 KB

english, 2011

17

Efficacy of Novel Syk-Kinase Inhibitors MT-SYK-03 and MT-SYK-322 in Cellular Models of Autoimmunity and Cancer

Rakitina, Tatiana V., Zeifman, Alexey A., Titov, Ilya Yu., Svitanko, Igor V., Lipkin, Aleksey V., Stroylov, Viktor S., Stroganov, Oleg V., Novikov, Fedor N., Chilov, Ghermes G.

Journal:

Mendeleev Communications

Année:

2012

Langue:

english

Fichier:

PDF, 348 KB

english, 2012

18

Molecular modeling of different substrate-binding modes and their role in penicillin acylase catalysis

Novikov, Fedor N., Stroganov, Oleg V., Khaliullin, Ilyas G., Panin, Nikolay V., Shapovalova, Irina V., Chilov, Ghermes G., Švedas, Vytas K.

Journal:

Année:

2013

Langue:

english

Fichier:

PDF, 547 KB

english, 2013

19

Enzymatic hydrolysis of β-lactam antibiotics at low pH in a two-phase "aqueous solution - water-immiscible organic solvent" system

Chilov, Ghermes G, vedas, Vytas K

Journal:

Canadian Journal of Chemistry

Année:

2002

Fichier:

PDF, 250 KB

2002

20

Alchemical FEP Calculations of Ligand Conformer Focusing in Explicit Solvent

Zeifman, Alexey A., Stroylov, Victor V., Novikov, Fedor N., Stroganov, Oleg V., Kulkov, Val, Chilov, Ghermes G.

Journal:

Journal of Chemical Theory and Computation

Année:

2013

Langue:

english

Fichier:

PDF, 2.04 MB

english, 2013

21

CSAR Scoring Challenge Reveals the Need for New Concepts in Estimating Protein–Ligand Binding Affinity

Novikov, Fedor N., Zeifman, Alexey A., Stroganov, Oleg V., Stroylov, Viktor S., Kulkov, Val, Chilov, Ghermes G.

Journal:

Journal of Chemical Information and Modeling

Année:

2011

Langue:

english

Fichier:

PDF, 1.70 MB

english, 2011

22

2,3-Dihydroxy-quinoxaline induces ATPase activity of Herpes Simplex Virus thymidine kinase

Zeifman, Alexey A., Novikov, Fedor N., Stroylov, Victor S., Stroganov, Oleg V., Chilov, Ghermes G., Skoblov, Alexander Y., Miroshnikov, Anatoly I., Skoblov, Yuri S.

Journal:

Année:

2014

Langue:

english

Fichier:

PDF, 613 KB

english, 2014

23

Modeling of the Diels–Alder reaction enantioselectivity by quantum mechanics and molecular mechanics

Zeifman, Alexey A., Stroylov, Viktor S., Titov, Ilya Yu., Novikov, Fedor N., Stroganov, Oleg V., Svitanko, Igor V., Chilov, Ghermes G.

Journal:

Mendeleev Communications

Année:

2015

Langue:

english

Fichier:

PDF, 346 KB

english, 2015

24

An explicit account of solvation is essential for modeling Suzuki–Miyaura coupling in protic solvents

Zeifman, Alexey A., Novikov, Fedor N., Stroylov, Victor S., Stroganov, Oleg V., Svitanko, Igor V., Chilov, Ghermes G.

Journal:

Dalton Transactions

Année:

2015

Langue:

english

Fichier:

PDF, 808 KB

english, 2015

25

Quantifying Possible Routes for SpnF-Catalyzed Formal Diels–Alder Cycloaddition

Medvedev, Michael G., Zeifman, Alexey A., Novikov, Fedor N., Bushmarinov, Ivan S., Stroganov, Oleg V., Titov, Ilya Yu., Chilov, Ghermes G., Svitanko, Igor V.

Journal:

Journal of the American Chemical Society

Année:

2017

Langue:

english

Fichier:

PDF, 676 KB

english, 2017

26

Exhaustive conformational search for transition states: the case of catechol O -methyltransferase active site

Medvedev, Michael G., Panova, Maria V., Chilov, Ghermes G., Bushmarinov, Ivan S., Novikov, Fedor N., Stroganov, Oleg V., Zeifman, Alexey A., Svitanko, Igor V.

Journal:

Mendeleev Communications

Année:

2017

Langue:

english

Fichier:

PDF, 521 KB

english, 2017

27

Modeling comparative selectivity profiles of kinase inhibitors using FEP/MD protocol

Stroylov, Victor S., Katkov, Daniil V., Titov, Ilya Yu., Stroganov, Oleg V., Novikov, Fedor N., Chilov, Ghermes G., Svitanko, Igor V.

Journal:

Mendeleev Communications

Année:

2017

Langue:

english

Fichier:

PDF, 242 KB

english, 2017

28

Charge redistribution in the SpnF-catalyzed Diels–Alder reaction

Medvedev, Michael G., Novikov, Fedor N., Bushmarinov, Ivan S., Zeifman, Alexey A., Polkovnichenko, Michael S., Stroganov, Oleg V., Chilov, Ghermes G., Lyssenko, Konstantin A., Svitanko, Igor V.

Journal:

Mendeleev Communications

Année:

2017

Langue:

english

Fichier:

PDF, 561 KB

english, 2017

29

Breastfeeding in patients with chronic myeloid leukaemia: case series with measurements of drug concentrations in maternal milk and review of literature

Chelysheva, Ekaterina, Aleshin, Sergey, Polushkina, Evgenia, Shmakov, Roman, Shokhin, Igor, Chilov, Ghermes, Turkina, Anna

Journal:

Mediterranean Journal of Hematology and Infectious Diseases

Année:

2018

Langue:

english

Fichier:

PDF, 590 KB

english, 2018

30

PF‑114, a novel selective inhibitor of BCR‑ABL tyrosine kinase, is a potent inducer of apoptosis in chronic myelogenous leukemia cells

Ivanova, Ekaterina, Tatarskiy, Victor, Yastrebova, Margarita, Khamidullina, Alvina, Shunaev, Alexei, Kalinina, Anastasia, Zeifman, Alexei, Novikov, Fedor, Dutikova, Yulia, Chilov, Ghermes, Shtil, Alex

Journal:

International Journal of Oncology

Année:

2019

Langue:

english

Fichier:

PDF, 993 KB

english, 2019

31

PF‑114, a novel selective inhibitor of BCR‑ABL tyrosine kinase, is a potent inducer of apoptosis in chronic myelogenous leukemia cells

Ivanova, Ekaterina, Tatarskiy, Victor, Yastrebova, Margarita, Khamidullina, Alvina, Shunaev, Alexei, Kalinina, Anastasia, Zeifman, Alexei, Novikov, Fedor, Dutikova, Yulia, Chilov, Ghermes, Shtil, Alex

Journal:

International Journal of Oncology

Année:

2019

Fichier:

PDF, 993 KB

2019

32

The role of human in the loop: lessons from D3R challenge 4

Stroganov, Oleg V., Novikov, Fedor N., Medvedev, Michael G., Dmitrienko, Artem O., Gerasimov, Igor, Svitanko, Igor V., Chilov, Ghermes G.

Journal:

Journal of Computer-Aided Molecular Design

Année:

2020

Langue:

english

Fichier:

PDF, 875 KB

english, 2020