Lucie Delemotte

Molecular Biology · 2015–2022

A researcher in the Science corpus: 2 papers; trusts 12 researchers and is trusted by 0 researchers here, as inferred from the citation graph.

Subfields

• Molecular Biology — 59 citations into it
• Atomic and Molecular Physics, and Optics — 28 citations into it
• Materials Chemistry — 19 citations into it
• Spectroscopy — 15 citations into it
• Condensed Matter Physics — 13 citations into it
• Statistical and Nonlinear Physics — 8 citations into it

Whom Lucie Delemotte trusts overall

Their strongest outbound trust, strongest first, inferred from their citations.

1. Eric F Darve

Papers from Lucie Delemotte's perspective

Ordered by how strongly the researchers Lucie Delemotte trusts endorse each paper. Same corpus, a different order for every researcher.

1. Statistical Mechanics: Theory and Molecular Simulation
2. Calculating free energies using average force
3. Replica Exchange with Solute Scaling: A more efficient version of Replica Exchange with Solute Tempering (REST2) (Journal of Physical Chemistry B)
4. Well-tempered metadynamics: a smoothly converging and tunable free-energy method. (Physical Review Letters)
5. Fast parallel algorithms for short-range molecular dynamics
6. Escaping free-energy minima
7. Numerical Integration of the Cartesian Equations of Motion of a System with Constraints: Molecular Dynamics of n-Alkanes
8. Efficient estimation of free energy differences from Monte Carlo data
9. Adaptive biasing force method for scalar and vector free energy calculations. (Journal of Chemical Physics)
10. Scalable Algorithms for Molecular Dynamics Simulations on Commodity Clusters (International Conference on Software Composition)

Their papers

• Membrane Protein Structure, Function, and Dynamics: a Perspective from Experiments and Theory (2015) — 185 citations
• Enhanced Sampling Methods for Molecular Dynamics Simulations [Article v1.0] (2022) — 294 citations