2 papers
physics.bio-ph2026
Extrapolating molecular dynamics simulations to zero time step and across thermodynamic space
Kush Coshic, Gerhard Hummer
The integration time step is a critical determinant of performance in molecular dynamics simulations, governing the trade-off between speed and fidelity. Although 2 fs remains the…
cond-mat.soft2024
Electric field of DNA in solution: who is in charge?
Jonathan G. Hedley, Kush Coshic, Aleksei Aksimentiev +1
In solution, DNA is a highly charged macromolecule which bears a unit of negative charge on each phosphate of its sugar-phosphate backbone. Although partially compensated by counte…