Arslan R Shaimardanov

5PUBLICATIONS
3CO-AUTHORS
Computational chemistryBiomolecular modelling and designCatalysis and mechanisms of reactionsOptimisation
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Publications (5)

|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
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

|Mar 19, 2019
Iterative Solvers for Empirical Partial Atomic Charges: Breaking the Curse of Cubic Numerical Complexity.

Arslan R Shaimardanov, Dmitry A Shulga, Vladimir A Palyulin

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Frequent Collaborators

5 joint publications

Dmitry A Shulga

5 joint publications

Vladimir A Palyulin

1 joint publications

Nikita N Ivanov