Andrey V. Golovin

According to our database, Andrey V. Golovin authored at least 5 papers between 2018 and 2025.

Collaborative distances:

• Dijkstra number of five.
• Erdős number of five.

2025

Long-Range Electrostatics in Serine Proteases: Machine Learning-Driven Reaction Sampling Yields Insights for Enzyme Design.

Alexander Zlobin, Valentina D. Maslova, Julia Beliaeva, Jens Meiler, Andrey V. Golovin

J. Chem. Inf. Model., 2025

2023

Challenges in Protein QM/MM Simulations with Intra-Backbone Link Atoms.

Alexander Zlobin, Julia Belyaeva, Andrey V. Golovin

J. Chem. Inf. Model., January, 2023

2018

Supercomputer Simulations of Dopamine-Derived Ligands Complexed with Cyclooxygenases.

Valentina D. Maslova, Roman V. Reshetnikov, Vladimir V. Bezugolov, Igor I. Lyubimov, Andrey V. Golovin

Supercomput. Front. Innov., 2018

New Binding Mode of SLURP Protein to a7 Nicotinic Acetylcholine Receptor Revealed by Computer Simulations.

Igor D. Diankin, Denis S. Kudryavtsev, Arthur O. Zalevsky, Victor I. Tsetlin, Andrey V. Golovin

Supercomput. Front. Innov., 2018

New QM/MM Implementation of the MOPAC2012 in the GROMACS.

Arthur O. Zalevsky, Roman V. Reshetnikov, Andrey V. Golovin

Proceedings of the Supercomputing, 2018