Literature DB >> 23034762

The Martini coarse-grained force field.

Xavier Periole1, Siewert-Jan Marrink.   

Abstract

The Martini force field is a coarse-grained force field suited for molecular dynamics simulations of biomolecular systems. The force field has been parameterized in a systematic way, based on the reproduction of partitioning free energies between polar and apolar phases of a large number of chemical compounds. In this chapter the methodology underlying the force field is presented together with details of its parameterization and limitations. Then currently available topologies are described with a short overview of the key elements of their parameterization. These include the new polarizable Martini water model. A set of three selected ongoing studies using the Martini force field is presented. Finally the latest lines of development are discussed.

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Year:  2013        PMID: 23034762     DOI: 10.1007/978-1-62703-017-5_20

Source DB:  PubMed          Journal:  Methods Mol Biol        ISSN: 1064-3745


  29 in total

Review 1.  Molecular basis of high viscosity in concentrated antibody solutions: Strategies for high concentration drug product development.

Authors:  Dheeraj S Tomar; Sandeep Kumar; Satish K Singh; Sumit Goswami; Li Li
Journal:  MAbs       Date:  2016-01-06       Impact factor: 5.857

2.  Molecular dynamics simulation analysis of membrane defects and pore propensity of hemifusion diaphragms.

Authors:  Manami Nishizawa; Kazuhisa Nishizawa
Journal:  Biophys J       Date:  2013-03-05       Impact factor: 4.033

3.  Physics-Based Potentials for Coarse-Grained Modeling of Protein-DNA Interactions.

Authors:  Yanping Yin; Adam K Sieradzan; Adam Liwo; Yi He; Harold A Scheraga
Journal:  J Chem Theory Comput       Date:  2015-04-14       Impact factor: 6.006

4.  Cholesterol binding to a conserved site modulates the conformation, pharmacology, and transport kinetics of the human serotonin transporter.

Authors:  Louise Laursen; Kasper Severinsen; Kristina Birch Kristensen; Xavier Periole; Malene Overby; Heidi Kaastrup Müller; Birgit Schiøtt; Steffen Sinning
Journal:  J Biol Chem       Date:  2018-01-19       Impact factor: 5.157

5.  Structures of the TMC-1 complex illuminate mechanosensory transduction.

Authors:  Hanbin Jeong; Sarah Clark; April Goehring; Sepehr Dehghani-Ghahnaviyeh; Ali Rasouli; Emad Tajkhorshid; Eric Gouaux
Journal:  Nature       Date:  2022-10-12       Impact factor: 69.504

6.  CLiB - a novel cardiolipin-binder isolated via data-driven and in vitro screening.

Authors:  Isabel Kleinwächter; Bernadette Mohr; Aljoscha Joppe; Nadja Hellmann; Tristan Bereau; Heinz D Osiewacz; Dirk Schneider
Journal:  RSC Chem Biol       Date:  2022-06-10

7.  Interactions between fengycin and model bilayers quantified by coarse-grained molecular dynamics.

Authors:  Joshua N Horn; Aaron Cravens; Alan Grossfield
Journal:  Biophys J       Date:  2013-10-01       Impact factor: 4.033

8.  Novel Phosphotidylinositol 4,5-Bisphosphate Binding Sites on Focal Adhesion Kinase.

Authors:  Jun Feng; Blake Mertz
Journal:  PLoS One       Date:  2015-07-17       Impact factor: 3.240

9.  Identification and Characterization of Specific Protein-Lipid Interactions Using Molecular Simulation.

Authors:  Robin A Corey; Mark S P Sansom; Phillip J Stansfeld
Journal:  Methods Mol Biol       Date:  2021

10.  Lipidation of Temporin-1CEb Derivatives as a Tool for Activity Improvement, Pros and Cons of the Approach.

Authors:  Paulina Kosikowska-Adamus; Emilia Sikorska; Dariusz Wyrzykowski; Aleksandra Walewska; Anna Golda; Milena Deptuła; Michał Obuchowski; Adam Prahl; Michał Pikuła; Adam Lesner
Journal:  Int J Mol Sci       Date:  2021-06-22       Impact factor: 5.923

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