48 citations · 48 across the 2 of their papers we have counts for
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q-bio.BM2025
Realistic Transition Paths for Large Biomolecular Systems: A Langevin Bridge Approach
Patrice Koehl, Marc Delarue, Henri Orland
We introduce a computational framework for generating realistic transition paths between distinct conformations of large bio-molecular systems. The method is built on a stochastic…
q-bio.BM2006★ 48 cited
Anharmonicity and self-similarity of the free energy landscape of protein G
F. Pontiggia, G. Colombo, C. Micheletti +1
The near-native free energy landscape of protein G is investigated through 0.4 microseconds-long atomistic molecular dynamics simulations in explicit solvent. A theoretical and com…