Alexey V. Onufriev

Career Trajectory

Research Cluster Map

Direct collaborators. Node size = influence, colour = community, dashed = past collaboration.

• A perspective on chemical attractant-based insect trapping: from disparate paradigms to an interoperable scientific toolbox

  Frontiers in Ecology and Evolution · 2026-06-10

• BPS2026 – Effects of cancer-associated histone mutations on higher order chromatin structure

  Biophysical Journal · 2026-02-01

• BPS2026 – Histone tails as tunable DNA gatekeepers

  Biophysical Journal · 2026-02-01

• Using Deep Graph Neural Networks Improves Physics-Based Hydration Free Energy Predictions Even for Molecules Outside of the Training Set Distribution

  The Journal of Physical Chemistry B · 2025-07-11 · 2 citations

• Quantifying conformational heterogeneity of 3D genome organization in fruit fly

  PLoS ONE · 2025-07-03

• Using Deep Graph Neural Networks Improves Physics-Based Hydration Free Energy Predictions Even for Molecules Outside of the Training Set Distribution

  ChemRxiv · 2025-06-04

• Quantifying Conformational Heterogeneity of 3D Genome Organization in Fruit FlyPreprint

  bioRxiv (Cold Spring Harbor Laboratory) · 2025-05-27

• Multiplateau Force–Extension Curves of Long Double-Stranded DNA Molecules

  ACS Omega · 2025-04-10

• The need to implement FAIR principles in biomolecular simulations

  Nature Methods · 2025-04-01 · 56 citations

• Optimal Dielectric Boundary for Binding Free Energy Estimates in the Implicit Solvent

  Journal of Chemical Information and Modeling · 2024-12-10 · 4 citations

• On the effect of the specific heat release of a mixture of radionuclides on the relative mass transported in the “self-delivery” of spent nuclear fuel mode during space burial

  Известия Российской академии наук Энергетика · 2024-11-12

• Optimal Dielectric Boundary for Binding Free Energy Estimates in the Implicit SolventPreprint

  ChemRxiv · 2024-10-02

• Implicit Solvent with Explicit Ions Generalized Born Model in Molecular Dynamics: Application to DNA

  Journal of Chemical Theory and Computation · 2024-09-16 · 8 citations

• The need to implement FAIR principles in biomolecular simulationsPreprint

  arXiv (Cornell University) · 2024-07-23 · 10 citations