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19952024
most citedMapping the Human Body at Cellular Resolution -- The NIH Common Fund Human BioMolecular Atlas Program

690 citations

Showing cond-mat.softShow all

9 papers · 1 filter

cond-mat.soft2015★ 26 cited

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…

cond-mat.soft2015★ 17 cited

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…

cond-mat.soft2012★ 20 cited

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…

cond-mat.soft2010★ 47 cited

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…

cond-mat.soft2008★ 190 cited

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…

cond-mat.soft2007★ 127 cited

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…

cond-mat.soft2007★ 34 cited

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…

cond-mat.soft2007★ 63 cited

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…

cond-mat.soft2006★ 97 cited

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…