Literature DB >> 19090582

GridMAT-MD: a grid-based membrane analysis tool for use with molecular dynamics.

William J Allen1, Justin A Lemkul, David R Bevan.   

Abstract

GridMAT-MD is a new program developed to aid in the analysis of lipid bilayers from molecular dynamics simulations. It reads a GROMACS coordinate file and generates two types of data: a two-dimensional contour plot depicting membrane thickness, and a polygon-based tessellation of the individual lipid headgroups. GridMAT-MD can also account for proteins or small molecules within the headgroups of the lipids, closely approximating their occupied lateral area. The program requires no installation, is fast, and is freely available. Copyright 2008 Wiley Periodicals, Inc.

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Year:  2009        PMID: 19090582     DOI: 10.1002/jcc.21172

Source DB:  PubMed          Journal:  J Comput Chem        ISSN: 0192-8651            Impact factor:   3.376


  66 in total

1.  GROmaρs: A GROMACS-Based Toolset to Analyze Density Maps Derived from Molecular Dynamics Simulations.

Authors:  Rodolfo Briones; Christian Blau; Carsten Kutzner; Bert L de Groot; Camilo Aponte-Santamaría
Journal:  Biophys J       Date:  2018-12-01       Impact factor: 4.033

2.  Characterization of 3D Voronoi tessellation nearest neighbor lipid shells provides atomistic lipid disruption profile of protein containing lipid membranes.

Authors:  Sara Y Cheng; Hai V Duong; Campbell Compton; Mark W Vaughn; Hoa Nguyen; Kwan H Cheng
Journal:  Biophys Chem       Date:  2015-01-19       Impact factor: 2.352

3.  Folding and Lipid Composition Determine Membrane Interaction of the Disordered Protein COR15A.

Authors:  Carlos Navarro-Retamal; Anne Bremer; Helgi I Ingólfsson; Jans Alzate-Morales; Julio Caballero; Anja Thalhammer; Wendy González; Dirk K Hincha
Journal:  Biophys J       Date:  2018-08-18       Impact factor: 4.033

4.  Molecular Dynamics Simulations of Amyloid β-Peptide (1-42): Tetramer Formation and Membrane Interactions.

Authors:  Anne M Brown; David R Bevan
Journal:  Biophys J       Date:  2016-09-06       Impact factor: 4.033

5.  Computer simulations of protein-membrane systems.

Authors:  Jennifer Loschwitz; Olujide O Olubiyi; Jochen S Hub; Birgit Strodel; Chetan S Poojari
Journal:  Prog Mol Biol Transl Sci       Date:  2020-02-26       Impact factor: 3.622

6.  Effects of protein binding on a lipid bilayer containing local anesthetic articaine, and the potential of mean force calculation: a molecular dynamics simulation approach.

Authors:  Sepideh Amjad-Iranagh; Abbas Yousefpour; Parto Haghighi; Hamid Modarress
Journal:  J Mol Model       Date:  2013-06-25       Impact factor: 1.810

7.  Cholesterol Protects the Oxidized Lipid Bilayer from Water Injury: An All-Atom Molecular Dynamics Study.

Authors:  Michael C Owen; Waldemar Kulig; Tomasz Rog; Ilpo Vattulainen; Birgit Strodel
Journal:  J Membr Biol       Date:  2018-03-17       Impact factor: 1.843

8.  Probing the Huntingtin 1-17 membrane anchor on a phospholipid bilayer by using all-atom simulations.

Authors:  Sébastien Côté; Vincent Binette; Evgeniy S Salnikov; Burkhard Bechinger; Normand Mousseau
Journal:  Biophys J       Date:  2015-03-10       Impact factor: 4.033

9.  Exploring 3D structure of human gonadotropin hormone receptor at antagonist state using homology modeling, molecular dynamic simulation, and cross-docking studies.

Authors:  Amirhossein Sakhteman; Minasadat Khoddami; Manica Negahdaripour; Arash Mehdizadeh; Mohsen Tatar; Younes Ghasemi
Journal:  J Mol Model       Date:  2016-08-25       Impact factor: 1.810

10.  Molecular dynamics simulation of human serum paraoxonase 1 in DPPC bilayer reveals a critical role of transmembrane helix H1 for HDL association.

Authors:  Mahesh Chandra Patra; Surya Narayan Rath; Sukanta Kumar Pradhan; Jitendra Maharana; Sachinandan De
Journal:  Eur Biophys J       Date:  2013-12-03       Impact factor: 1.733

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