Denys Biriukov

The paper identifies sequence features of α-helical peptides that reduce membrane line tension through computational simulations and evolutionary optimization.

The paper uses molecular dynamics simulations to study how sulfation and monosaccharide composition affect GAG secondary structures and introduces a classification metric.

This study quantifies weak like-charge pairing of guanidinium ions in water using NMR, MD simulations, and cryo-EM, contrasting with ammonium ions and showing oligoarginine aggregation.

This study investigates HA-peptide interactions at submicromolar concentrations using multiple techniques, revealing selective multivalent binding and dynamic supramolecular complex formation.

This study evaluates force fields for sulfated glycosaminoglycans using ab initio MD simulations, finding that charge-scaled models better capture Ca2+ binding than others.

prosECCo75 improves MD simulations by incorporating electronic polarization, enhancing accuracy in modeling electrostatic interactions in biological systems without increasing computational cost.

The paper investigates the lipid scrambling activity of Sec61 and TRAP using molecular dynamics simulations, showing they facilitate lipid flip-flop via a credit card mechanism and are selective for phosphatidylcholine.