J. Kästner
Atomic and Molecular Physics, and Optics · 2005–2014
A researcher in the Science corpus: 4 papers; trusts 5 researchers and is trusted by 7 researchers here, as inferred from the citation graph.
Subfields
- Atomic and Molecular Physics, and Optics — 11 citations into it; #957 of 7,135 by trust here, #3,201 by citations
- Molecular Biology — 9 citations into it; #2,613 of 17,773 by trust here, #9,727 by citations
Whom J. Kästner trusts overall
Their strongest outbound trust, strongest first, inferred from their citations.
Who trusts J. Kästner overall
- ST John
- Veronica Salmaso
- Gábor Csányi
- Stefano Moro
- Cameron F. Abrams
- J'erome H'enin
- Giovanni Bussi
- Benjamin Rotenberg
- Peter Bruggeman
- Emiliano Brini
Papers from J. Kästner's perspective
Ordered by how strongly the researchers J. Kästner trusts endorse each paper. Same corpus, a different order for every researcher.
- Nonphysical sampling distributions in Monte Carlo free-energy estimation: Umbrella sampling
- Escaping free-energy minima
- Basic ingredients of free energy calculations: A review (Journal of Computational Chemistry)
- Extension to the weighted histogram analysis method: combining umbrella sampling with free energy calculations
- Numerical Integration of the Cartesian Equations of Motion of a System with Constraints: Molecular Dynamics of n-Alkanes
- VMD: visual molecular dynamics.
- Canonical sampling through velocity rescaling. (Journal of Chemical Physics)
- Nonequilibrium Statistical Mechanics
- A biomolecular force field based on the free enthalpy of hydration and solvation: The GROMOS force‐field parameter sets 53A5 and 53A6 (Journal of Computational Chemistry)
- All-atom empirical potential for molecular modeling and dynamics studies of proteins.
Their papers
- Bridging the gap between thermodynamic integration and umbrella sampling provides a novel analysis method: "Umbrella integration". (2005) — 397 citations
- Umbrella sampling (2011) — 1,282 citations
- DL-FIND: an open-source geometry optimizer for atomistic simulations. (2009) — 593 citations
- ChemShell—a modular software package for QM/MM simulations (2014) — 442 citations