Denys Biriukov, Ph.D.

2024

• Developing and Benchmarking Sulfate and Sulfamate Force Field Parameters via Ab Initio Molecular Dynamics Simulations To Accurately Model Glycosaminoglycan Electrostatic Interactions

  RIOPEDRE-FERNANDEZ Miguel KOSTAL Vojtech MARTINEK Tomas MARTINEZ-SEARA Hector BIRIUKOV Denys

  Article in Periodical

  Journal of Chemical Information and Modeling, year: 2024, volume: 64, edition: 18, DOI

• Effective Inclusion of Electronic Polarization Improves the Description of Electrostatic Interactions: The prosECCo75 Biomolecular Force Field

  NENCINI Ricky TEMPRA Carmelo BIRIUKOV Denys RIOPEDRE-FERNANDEZ Miguel CHAMORRO Victor Cruces POLÁK Jakub MASON Philip E. ONDO Daniel HEYDA Jan OLLILA O. H. Samuli JUNGWIRTH Pavel JAVANAINEN Matti MARTINEZ-SEARA Hector

  Article in Periodical

  Journal of Chemical Theory and Computation, year: 2024, volume: 20, edition: 17, DOI

• Pathways to a Shiny Future: Building the Foundation for Computational Physical Chemistry and Biophysics in 2050

  BIRIUKOV Denys VÁCHA Robert

  Article in Periodical

  ACS PHYSICAL CHEMISTRY AU, year: 2024, volume: 4, edition: 4, DOI

• Testing the hypothesis that solvent exchange limits the rates of calcite growth and dissolution

  NIKHIL Rampal HSIU-WEN Wang ALEXANDER Brady JOSE Borreguero BIRIUKOV Denys EUGENE Mamontov ANDREW Stack

  Article in Periodical

  RSC Advances, year: 2024, volume: 14, edition: 22, DOI

2023

• Efficient Simulations of Solvent Asymmetry Across Lipid Membranes Using Flat-Bottom Restraints

  BIRIUKOV Denys JAVANAINEN Matti

  Article in Periodical

  Journal of Chemical Theory and Computation, year: 2023, volume: 19, edition: 18, DOI

• Model Sugars Right: Improved Interactions of Glycans in All-Atom Molecular Dynamics Simulations

  BIRIUKOV Denys MIGUEL Riopedre Fernández HECTOR Martinez-Seara

  Conference abstract

  Year: 2023, type: Conference abstract

• Multiple factors modulating the formation of toroidal membrane pores

  BIRIUKOV Denys RIVEL Timothée Emmanuel J. VÁCHA Robert

  Conference abstract

  Year: 2023, type: Conference abstract

• Stealthy Player in Lipid Experiments? EDTA Binding to Phosphatidylcholine Membranes Probed by Simulations and Monolayer Experiments

  VAZDAR K. TEMPRA C. OLŻYŃSKA A. BIRIUKOV Denys CWIKLIK L. VAZDAR M.

  Article in Periodical

  Journal of Physical Chemistry B, year: 2023, volume: 127, edition: 24, DOI