Siewert J. Marrink

According to our database1, Siewert J. Marrink authored at least 16 papers between 2010 and 2021.

Collaborative distances:
  • Dijkstra number2 of five.
  • Erdős number3 of four.

Timeline

Legend:

Book 
In proceedings 
Article 
PhD thesis 
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Online presence:

On csauthors.net:

Bibliography

2021
Computational Prediction of ω-Transaminase Specificity by a Combination of Docking and Molecular Dynamics Simulations.
J. Chem. Inf. Model., 2021

Asymmetric CorA Gating Mechanism as Observed by Molecular Dynamics Simulations.
J. Chem. Inf. Model., 2021

General Protocol for Constructing Molecular Models of Nanodiscs.
J. Chem. Inf. Model., 2021

2020
Molecular mechanism for bidirectional regulation of CD44 for lipid raft affiliation by palmitoylations and PIP2.
PLoS Comput. Biol., 2020

2017
CHARMM-GUI Martini Maker for modeling and simulation of complex bacterial membranes with lipopolysaccharides.
J. Comput. Chem., 2017

cgHeliParm: analysis of dsDNA helical parameters for coarse-grained MARTINI molecular dynamics simulations.
Bioinform., 2017

2016
Martini straight: Boosting performance using a shorter cutoff and GPUs.
Comput. Phys. Commun., 2016

2014
Hydrophobic Compounds Reshape Membrane Domains.
PLoS Comput. Biol., 2014

Computationally Efficient and Accurate Enantioselectivity Modeling by Clusters of Molecular Dynamics Simulations.
J. Chem. Inf. Model., 2014

2012
Structural Investigation of MscL Gating Using Experimental Data and Coarse Grained MD Simulations.
PLoS Comput. Biol., 2012

GPU-SD and DPD parallelization for Gromacs tools for molecular dynamics simulations.
Proceedings of the 12th IEEE International Conference on Bioinformatics & Bioengineering, 2012

2011
Molecular Mechanism of Cyclodextrin Mediated Cholesterol Extraction.
PLoS Comput. Biol., 2011

Determining equilibrium constants for dimerization reactions from molecular dynamics simulations.
J. Comput. Chem., 2011

2010
Polarizable Water Model for the Coarse-Grained MARTINI Force Field.
PLoS Comput. Biol., 2010

Role of Lipids in Spheroidal High Density Lipoproteins.
PLoS Comput. Biol., 2010

Reconstruction of atomistic details from coarse-grained structures.
J. Comput. Chem., 2010


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