690 citations
Counting papers with at most 25 authors, so collaboration author lists do not stand in for the people here.
- National Institutes of HealthUS46 papers
- Seoul National UniversityKR5 papers
- Korea Institute for Advanced StudyKR4 papers
- Quảng Bình UniversityVN4 papers
- The University of Texas at AustinUS4 papers
- Keimyung UniversityKR3 papers
- Lehigh UniversityUS3 papers
- Princeton UniversityUS3 papers
- University at Buffalo, State University of New YorkUS3 papers
- University of ViennaAT3 papers
- Asia Pacific Center for Theoretical PhysicsKR2 papers
- Centre National de la Recherche ScientifiqueFR2 papers
4 papers · 1 filter
Molecular free energy profiles from force spectroscopy experiments by inversion of observed committors
Roberto Covino, Michael T. Woodside, Gerhard Hummer +2
In single-molecule force spectroscopy experiments, a biomolecule is attached to a force probe via polymer linkers, and the total extension -- of molecule plus apparatus -- is monit…
A one-dimensional dipole lattice model for water in narrow nanopores
Jürgen Köfinger, Gerhard Hummer, Christoph Dellago
We present a recently developed one-dimensional dipole lattice model that accurately captures the key properties of water in narrow nanopores. For this model, we derive three equiv…
Exploration of Effective Potential Landscapes using Coarse Reverse Integration
Thomas A. Frewen, Gerhard Hummer, Ioannis G. Kevrekidis
We describe a reverse integration approach for the exploration of low-dimensional effective potential landscapes. Coarse reverse integration initialized on a ring of coarse states…
Coarse Molecular Dynamics of a Peptide Fragment: Free Energy, Kinetics, and Long-Time Dynamics Computations
Gerhard Hummer, Ioannis G. Kevrekidis
We present a ``coarse molecular dynamics'' approach and apply it to studying the kinetics and thermodynamics of a peptide fragment dissolved in water. Short bursts of appropriately…