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Novikov, Fedor N.
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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/..
 
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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/..
 
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3

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/..
 
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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/..
 
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5

Molecular basis of COVID-19 pathogenesis:

Novikov, Fedor N. ; Stroylov, Viktor S. ; Svitanko, Igor V..
Russian Chemical Reviews.  89 (2020)  8 - p. 858-878 , 2020
Link: https://doi.org/10.1070/..
 
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6

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/..
 
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7

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/..
 
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8

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/..
 
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9

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/..
 
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10

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/..
 
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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/..
 
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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/..
 
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13

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/..
 
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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/..
 
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15

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/..
 
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