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List of works by Maria M Reif

A stereochemical switch in the aDrs model system, a candidate for a functional amyloid

scientific article

Calculation of Derivative Thermodynamic Hydration and Aqueous Partial Molar Properties of Ions Based on Atomistic Simulations

scientific article published on 19 July 2012

Computation of methodology-independent single-ion solvation properties from molecular simulations. III. Correction terms for the solvation free energies, enthalpies, entropies, heat capacities, volumes, compressibilities, and expansivities of solvat

scientific article published in April 2011

Computation of methodology-independent single-ion solvation properties from molecular simulations. IV. Optimized Lennard-Jones interaction parameter sets for the alkali and halide ions in water ⬇️

scientific article published on April 14, 2011

Effect of Sodium and Chloride Binding on a Lecithin Bilayer. A Molecular Dynamics Study

scientific article published on 25 January 2017

Improving the Potential of Mean Force and Nonequilibrium Pulling Simulations by Simultaneous Alchemical Modifications

scientific article published on 02 June 2022

Investigation of ion binding in chlorite dismutases by means of molecular dynamics simulations

scientific article published on 14 July 2014

Local compressibilities in insulin as determined from pressure tuning hole burning experiments and MD simulations

scientific article published in May 2005

Local compressibilities of proteins: comparison of optical experiments and simulations for horse heart cytochrome-c.

scientific article published on 15 April 2005

Molecular Insight into Propeptide–Protein Interactions in Cathepsins L and O ⬇️

scientific article published on October 16, 2012

Molecular dynamics simulation of configurational ensembles compatible with experimental FRET efficiency data through a restraint on instantaneous FRET efficiencies

scientific article

Molecular dynamics simulations of a reversibly folding beta-heptapeptide in methanol: influence of the treatment of long-range electrostatic interactions

scientific article published in March 2009

Net charge changes in the calculation of relative ligand-binding free energies via classical atomistic molecular dynamics simulation

scientific article published on 19 November 2013

New Interaction Parameters for Charged Amino Acid Side Chains in the GROMOS Force Field

scientific article published on 24 May 2012

Origin of Asymmetric Solvation Effects for Ions in Water and Organic Solvents Investigated Using Molecular Dynamics Simulations: The Swain Acity-Basity Scale Revisited.

scientific article

Photomodulation of conformational states. IV. Integrin-binding RGD-peptides with (4-aminomethyl)phenylazobenzoic acid as backbone constituent.

scientific article published in April 2005

Rapid approximate calculation of water binding free energies in the whole hydration domain of (bio)macromolecules

scientific article published on 17 May 2016

Testing of the GROMOS Force-Field Parameter Set 54A8: Structural Properties of Electrolyte Solutions, Lipid Bilayers, and Proteins

scientific article

The RP-HPLC measurement and QSPR analysis of logP(o/w) values of several Pt(II) complexes.

scientific article published in July 2006

Toward the correction of effective electrostatic forces in explicit-solvent molecular dynamics simulations: restraints on solvent-generated electrostatic potential and solvent polarization

scientific article published on 10 January 2015

Update on phosphate and charged post-translationally modified amino acid parameters in the GROMOS force field

scientific article published on 24 January 2017

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