Dmitry A Shulga
11PUBLICATIONS
8CO-AUTHORS
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Publications (11)
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|Oct 26, 2024
Ensemble Docking as a Tool for the Rational Design of Peptidomimetic Staphylococcus aureus Sortase A Inhibitors.Dmitry A Shulga, Konstantin V Kudryavtsev
|Apr 25, 2024
Do electrostatic interactions make a difference in physics-based AutoDock4 scoring function?Arslan R Shaimardanov, Dmitry A Shulga, Vladimir A Palyulin
|Feb 14, 2023
On hidden anisotropy of formally charged fragments.Arslan R Shaimardanov, Dmitry A Shulga, Vladimir A Palyulin
|Dec 11, 2022
Theoretical Studies of Leu-Pro-Arg-Asp-Ala Pentapeptide (LPRDA) Binding to Sortase A of Staphylococcus aureus.Dmitry A Shulga, Konstantin V Kudryavtsev
|Dec 11, 2022
Assessing How Residual Errors of Scoring Functions Correlate to Ligand Structural Features.Dmitry A Shulga, Arslan R Shaimardanov, Nikita N Ivanov
|Sep 02, 2022
Is an Inductive Effect Explicit Account Required for Atomic Charges Aimed at Use within the Force Fields?Arslan R Shaimardanov, Dmitry A Shulga, Vladimir A Palyulin
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Frequent Collaborators
7 joint publications
Vladimir A Palyulin
5 joint publications
Arslan R Shaimardanov
3 joint publications
Konstantin V Kudryavtsev
2 joint publications
Nikita N Ivanov
1 joint publications
Oleg I Titov
1 joint publications
Natalia A Tserkovnikova
1 joint publications
Dmitry N Tarasov
1 joint publications
Dmitry G Tovbin
