The dynamics of the calcium-induced chain-chain association in the polyuronate systems

Molecular basis of calcium binding by polyguluronate chains. Revising the egg-box model

(2011) Wojciech Plazinski   JOURNAL OF COMPUTATIONAL CHEMISTRY

MDAnalysis: A toolkit for the analysis of molecular dynamics simulations

(2011) Naveen Michaud-Agrawal et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Interaction of alginate single-chain polyguluronate segments with mono- and divalent metal cations: a comparative molecular dynamics study

(2010) Lovorka Perić-Hassler et al.   MOLECULAR SIMULATION

Predicting the reaction coordinates of millisecond light-induced conformational changes in photoactive yellow protein

(2010) J. Vreede et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Conformation, dynamics and ion-binding properties of single-chain polyuronates: a molecular dynamics study

(2008) Lovorka Perić et al.   MOLECULAR SIMULATION

P-LINCS:  A Parallel Linear Constraint Solver for Molecular Simulation

(2007) Berk Hess   Journal of Chemical Theory and Computation

Parameterization of Ca+2–protein interactions for molecular dynamics simulations

(2007) Elad Project et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY