E-LIB Suche - Ergebnisse für: Novikov, Fedor N.

1

Quantum Mechanical-Cluster Approach to Solve the Bioisoster..:

Losev, Timofey V. ; Gerasimov, Igor S. ; Panova, Maria V....
Journal of Chemical Information and Modeling. 63 (2023) 4 - p. 1239-1248 , 2023

Link: https://doi.org/10.1021/..

2

Reducing false-positive rates in virtual screening via canc..:

Medvedev, Michael G. ; Stroganov, Oleg V. ; Dmitrienko, Artem O....
Mendeleev Communications. 32 (2022) 6 - p. 735-738 , 2022

Link: https://doi.org/10.1016/..

3

Modeling of novel CDK7 inhibitors activity by molecular dyn..:

Rusina, Polina V. ; Titov, Ilya Yu. ; Panova, Maria V....
Mendeleev Communications. 30 (2020) 4 - p. 430-432 , 2020

Link: https://doi.org/10.1016/..

4

Novel curcumin derivatives as P-glycoprotein inhibitors: Mo..:

Sagnou, Marina ; Novikov, Fedor N. ; Ivanova, Ekaterina S....
European Journal of Medicinal Chemistry. 198 (2020) - p. 112331 , 2020

Link: https://doi.org/10.1016/..

5

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

Stroganov, Oleg V. ; Novikov, Fedor N. ; Medvedev, Michael G....
Journal of Computer-Aided Molecular Design. 34 (2020) 2 - p. 121-130 , 2020

Link: https://doi.org/10.1007/..

6

Modeling comparative selectivity profiles of kinase inhibit..:

Stroylov, Victor S. ; Katkov, Daniil V. ; Titov, Ilya Yu....
Mendeleev Communications. 27 (2017) 4 - p. 349-351 , 2017

Link: https://doi.org/10.1016/..

7

Quantifying Possible Routes for SpnF-Catalyzed Formal Diels..:

Medvedev, Michael G. ; Zeifman, Alexey A. ; Novikov, Fedor N....
Journal of the American Chemical Society. 139 (2017) 11 - p. 3942-3945 , 2017

Link: https://doi.org/10.1021/..

8

Charge redistribution in the SpnF-catalyzed Diels–Alder rea..:

Medvedev, Michael G. ; Novikov, Fedor N. ; Bushmarinov, Ivan S....
Mendeleev Communications. 27 (2017) 5 - p. 500-502 , 2017

Link: https://doi.org/10.1016/..

9

Exhaustive conformational search for transition states: the..:

Medvedev, Michael G. ; Panova, Maria V. ; Chilov, Ghermes G....
Mendeleev Communications. 27 (2017) 3 - p. 224-227 , 2017

Link: https://doi.org/10.1016/..

10

An explicit account of solvation is essential for modeling ..:

Zeifman, Alexey A. ; Novikov, Fedor N. ; Stroylov, Victor S....
Dalton Transactions. 44 (2015) 40 - p. 17795-17799 , 2015

Link: https://doi.org/10.1039/..

11

Novel PARP1 inhibitors potentiate doxorubicin antitumor act..:

Rakitina, Tatiana V. ; Zeifman, Alexey A. ; Novikov, Fedor N....
Mendeleev Communications. 25 (2015) 5 - p. 364-366 , 2015

Link: https://doi.org/10.1016/..

12

Modeling of the Diels–Alder reaction enantioselectivity by ..:

Zeifman, Alexey A. ; Stroylov, Viktor S. ; Titov, Ilya Yu....
Mendeleev Communications. 25 (2015) 4 - p. 269-270 , 2015

Link: https://doi.org/10.1016/..

13

Alchemical FEP Calculations of Ligand Conformer Focusing in..:

Zeifman, Alexey A. ; Stroylov, Victor V. ; Novikov, Fedor N....
Journal of Chemical Theory and Computation. 9 (2013) 2 - p. 1093-1102 , 2013

Link: https://doi.org/10.1021/..

14

2,3‐Dihydroxy‐quinoxaline induces ATPase activity of Herpes..:

Zeifman, Alexey A. ; Novikov, Fedor N. ; Stroylov, Victor S....
FEBS Letters. 588 (2013) 3 - p. 509-511 , 2013

Link: https://doi.org/10.1016/..

15

Lead Finder docking and virtual screening evaluation with A..:

Novikov, Fedor N. ; Stroylov, Viktor S. ; Zeifman, Alexey A....
Journal of Computer-Aided Molecular Design. 26 (2012) 6 - p. 725-735 , 2012

Link: https://doi.org/10.1007/..