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List of works by Andrey Alekseenko

Comparing the Performance of SYCL Runtimes for Molecular Dynamics Applications

scientific article published on 06 April 2023

Improved Modeling of Peptide-Protein Binding Through Global Docking and Accelerated Molecular Dynamics Simulations

scientific article published on 30 October 2019

Kinase Atlas: Druggability Analysis of Potential Allosteric Sites in Kinases

scientific article published on 05 July 2019

Molecular mechanisms, thermodynamics, and dissociation kinetics of knob-hole interactions in fibrin.

scientific article published on 28 May 2013

Monte Carlo on the manifold and MD refinement for binding pose prediction of protein-ligand complexes: 2017 D3R Grand Challenge

scientific article published on 12 November 2018

Protein-ligand docking using FFT based sampling: D3R case study

scientific article published on 3 November 2017

SOP-GPU: influence of solvent-induced hydrodynamic interactions on dynamic structural transitions in protein assemblies

scientific article

Sampling and refinement protocols for template-based macrocycle docking: 2018 D3R Grand Challenge 4

scientific article published on 26 December 2019

Template-based modeling by ClusPro in CASP13 and the potential for using co-evolutionary information in docking

scientific article published on 01 October 2019

Use of deep neural network ensembles to identify embryonic-fetal transition markers: repression of COX7A1 in embryonic and cancer cells

scientific article published on 28 December 2017

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