Binding of bivalent metal cations by α-l-guluronate: insights from the DFT-MD simulations

Binding of heavy metals by algal biosorbents. Theoretical models of kinetics, equilibria and thermodynamics

(2013) Wojciech Plazinski   ADVANCES IN COLLOID AND INTERFACE SCIENCE

Probing the helical forms of Ca2+-guluronan junction zones in alginate gels by molecular dynamics 1: Duplexes

(2013) Anna Wolnik et al.   BIOPOLYMERS

Exploring the molecular basis for the metal-mediated assembly of alginate gels

(2013) Matthew B. Stewart et al.   CARBOHYDRATE POLYMERS

Calcium-α-l-Guluronate Complexes: Ca2+ Binding Modes from DFT-MD Simulations

(2013) Wojciech Plazinski et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Structure of Alginate Gels: Interaction of Diuronate Units with Divalent Cations from Density Functional Calculations

(2012) Pierre Agulhon et al.   BIOMACROMOLECULES

Sorption of lead, copper, and cadmium by calcium alginate. Metal binding stoichiometry and the pH effect

(2012) Wojciech Plazinski   ENVIRONMENTAL SCIENCE AND POLLUTION RESEARCH

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

(2012) Wojciech Plazinski et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Sorption of metal cations by alginate-based biosorbents. On the correct determination of the thermodynamic parameters

(2011) Wojciech Plazinski   JOURNAL OF COLLOID AND INTERFACE SCIENCE

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

(2011) Wojciech Plazinski   JOURNAL OF COMPUTATIONAL CHEMISTRY

g_wham—A Free Weighted Histogram Analysis Implementation Including Robust Error and Autocorrelation Estimates

(2010) Jochen S. Hub et al.   Journal of Chemical Theory and Computation

The R.E.D. tools: advances in RESP and ESP charge derivation and force field library building

(2010) François-Yves Dupradeau et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Metal–carboxylate interactions in metal–alginate complexes studied with FTIR spectroscopy

(2009) Sergios K. Papageorgiou et al.   CARBOHYDRATE RESEARCH

Modeling the Effect of Surface Heterogeneity in Equilibrium of Heavy Metal Ion Biosorption by Using the Ion Exchange Model

(2009) Wojciech Plazinski et al.   ENVIRONMENTAL SCIENCE & TECHNOLOGY

Evaluation of Chaperone-like Activity of Alginate: Microcapsule and Water-soluble Forms

(2009) Neguine Rezaii et al.   PROTEIN JOURNAL

Biosorption: critical review of scientific rationale, environmental importance and significance for pollution treatment

(2008) Geoffrey Michael Gadd   JOURNAL OF CHEMICAL TECHNOLOGY AND BIOTECHNOLOGY

GROMACS 4:  Algorithms for Highly Efficient, Load-Balanced, and Scalable Molecular Simulation

(2008) Berk Hess et al.   Journal of Chemical Theory and Computation

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

(2008) Lovorka Perić et al.   MOLECULAR SIMULATION

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

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