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
9 papers · 1 filter
Diffusive dynamics of contact formation in disordered polypeptides
Gul Zerze, Jeetain Mittal, Robert B. Best
Experiments measuring contact formation between a probe and quencher in disordered chains provide information on the fundamental dynamical timescales relevant to protein folding, b…
Role of solvation in pressure-induced helix stabilization
Robert B. Best, Cayla Miller, Jeetain Mittal
In contrast to the well-known destabilization of globular proteins by high pressure, re- cent work has shown that pressure stabilizes the formation of isolated α-helices. However a…
Pair diffusion, hydrodynamic interactions, and available volume in dense fluids
Jeetain Mittal, Gerhard Hummer
We calculate the pair diffusion coefficient D(r) as a function of the distance r between two hard-sphere particles in a dense monodisperse suspension. The distance-dependent pair d…
Segregation of receptor-ligand complexes in cell adhesion zones: Phase diagrams and role of thermal membrane roughness
Bartosz Rozycki, Reinhard Lipowsky, Thomas R. Weikl
The adhesion zone of immune cells, the 'immunological synapse', exhibits characteristic domains of receptor-ligand complexes. The domain formation is likely caused by a length diff…
Layering and position-dependent diffusive dynamics of confined fluids
Jeetain Mittal, Thomas M. Truskett, Jeffrey R. Errington +1
We study the diffusive dynamics of a hard-sphere fluid confined between parallel smooth hard walls. The position-dependent diffusion coefficient normal to the walls is larger in re…
Peptide Folding Kinetics from Replica Exchange Molecular Dynamics
Nicolae-Viorel Buchete, Gerhard Hummer
We show how accurate kinetic information, such as the rates of protein folding and unfolding, can be extracted from replica-exchange molecular dynamics (REMD) simulations. From the…
Cofinement, entropy, and single-particle dynamics of equilibrium hard-sphere mixtures
Jeetain Mittal, Vincent K. Shen, Jeffrey R. Errington +1
We use discontinuous molecular dynamics and grand-canonical transition-matrix Monte Carlo simulations to explore how confinement between parallel hard walls modifies the relationsh…
How short-range attractions impact the structural order, self-diffusivity, and viscosity of a fluid
William P. Krekelberg, Jeetain Mittal, Venkat Ganesan +1
We present molecular simulation data for viscosity, self-diffusivity, and the local structural ordering of (i) a hard-sphere fluid and (ii) a square-well fluid with short-range att…
Kinetics and mechanism of proton transport across membrane nanopores
Christoph Dellago, Gerhard Hummer
We use computer simulations to study the kinetics and mechanism of proton passage through a narrow-pore carbon-nanotube membrane separating reservoirs of liquid water. Free energy…