Literature DB >> 20700585

Lipidbook: a public repository for force-field parameters used in membrane simulations.

Jan Domański1, Phillip J Stansfeld, Mark S P Sansom, Oliver Beckstein.   

Abstract

Lipidbook is a public database for force-field parameters with a special emphasis on lipids, detergents and similar molecules that are of interest when simulating biological membrane systems. It stores parameter files that are supplied by the community. Topologies, parameters and lipid or whole bilayer structures can be deposited in any format for any simulation code, preferably under a license that promotes "open knowledge." A number of mechanisms are implemented to aid a user in judging the appropriateness of a given parameter set for a project. For instance, parameter sets are versioned, linked to the primary citation via PubMed identifier and digital object identifier (DOI), and users can publicly comment on deposited parameters. Licensing and, hence, the conditions for use and dissemination of academically generated data are often unclear. In those cases it is also possible to provide a link instead of uploading a file. A snapshot of the linked file is then archived using the WebCite(®) service without further involvement of the user or Lipidbook, thus ensuring a transparent and permanent history of the parameter set. Lipidbook can be accessed freely online at http://lipidbook.bioch.ox.ac.uk. Deposition of data requires online registration.

Entities:  

Mesh:

Substances:

Year:  2010        PMID: 20700585     DOI: 10.1007/s00232-010-9296-8

Source DB:  PubMed          Journal:  J Membr Biol        ISSN: 0022-2631            Impact factor:   1.843


  13 in total

1.  The Protein Data Bank.

Authors:  H M Berman; J Westbrook; Z Feng; G Gilliland; T N Bhat; H Weissig; I N Shindyalov; P E Bourne
Journal:  Nucleic Acids Res       Date:  2000-01-01       Impact factor: 16.971

2.  OPM: orientations of proteins in membranes database.

Authors:  Mikhail A Lomize; Andrei L Lomize; Irina D Pogozheva; Henry I Mosberg
Journal:  Bioinformatics       Date:  2006-01-05       Impact factor: 6.937

Review 3.  Membrane proteins: molecular dynamics simulations.

Authors:  Erik Lindahl; Mark S P Sansom
Journal:  Curr Opin Struct Biol       Date:  2008-04-10       Impact factor: 6.809

4.  VMD: visual molecular dynamics.

Authors:  W Humphrey; A Dalke; K Schulten
Journal:  J Mol Graph       Date:  1996-02

5.  Extension of the GLYCAM06 Biomolecular Force Field to Lipids, Lipid Bilayers and Glycolipids.

Authors:  Matthew B Tessier; Mari L Demarco; Austin B Yongye; Robert J Woods
Journal:  Mol Simul       Date:  2008       Impact factor: 2.178

Review 6.  Molecular dynamics simulations of membrane channels and transporters.

Authors:  Fatemeh Khalili-Araghi; James Gumbart; Po-Chao Wen; Marcos Sotomayor; Emad Tajkhorshid; Klaus Schulten
Journal:  Curr Opin Struct Biol       Date:  2009-04-01       Impact factor: 6.809

Review 7.  Lipids on the move: simulations of membrane pores, domains, stalks and curves.

Authors:  Siewert J Marrink; Alex H de Vries; D Peter Tieleman
Journal:  Biochim Biophys Acta       Date:  2008-10-25

8.  CHARMM-GUI Membrane Builder for mixed bilayers and its application to yeast membranes.

Authors:  Sunhwan Jo; Joseph B Lim; Jeffery B Klauda; Wonpil Im
Journal:  Biophys J       Date:  2009-07-08       Impact factor: 4.033

Review 9.  Drugs and their molecular targets: an updated overview.

Authors:  Yves Landry; Jean-Pierre Gies
Journal:  Fundam Clin Pharmacol       Date:  2008-02       Impact factor: 2.748

10.  Going, going, still there: using the WebCite service to permanently archive cited web pages.

Authors:  Gunther Eysenbach; Mathieu Trudel
Journal:  J Med Internet Res       Date:  2005-12-30       Impact factor: 5.428

View more
  35 in total

Review 1.  Molecular Simulations of Gram-Negative Bacterial Membranes: A Vignette of Some Recent Successes.

Authors:  Jamie Parkin; Matthieu Chavent; Syma Khalid
Journal:  Biophys J       Date:  2015-08-04       Impact factor: 4.033

2.  Spatial organization of EphA2 at the cell-cell interface modulates trans-endocytosis of ephrinA1.

Authors:  Adrienne C Greene; Samuel J Lord; Aiwei Tian; Christopher Rhodes; Hiroyuki Kai; Jay T Groves
Journal:  Biophys J       Date:  2014-05-20       Impact factor: 4.033

3.  Free energy of translocating an arginine-rich cell-penetrating peptide across a lipid bilayer suggests pore formation.

Authors:  Kun Huang; Angel E García
Journal:  Biophys J       Date:  2013-01-22       Impact factor: 4.033

4.  Membrane attachment and structure models of lipid storage droplet protein 1.

Authors:  Penghui Lin; Xiao Chen; Hem Moktan; Estela L Arrese; Lian Duan; Liying Wang; Jose L Soulages; Donghua H Zhou
Journal:  Biochim Biophys Acta       Date:  2013-12-12

5.  PackMem: A Versatile Tool to Compute and Visualize Interfacial Packing Defects in Lipid Bilayers.

Authors:  Romain Gautier; Amélie Bacle; Marion L Tiberti; Patrick F Fuchs; Stefano Vanni; Bruno Antonny
Journal:  Biophys J       Date:  2018-07-05       Impact factor: 4.033

6.  Identification and characterization of solvent-filled channels in human ferrochelatase.

Authors:  Amy E Medlock; Wided Najahi-Missaoui; Teresa A Ross; Tamara A Dailey; Joseph Burch; Jessica R O'Brien; William N Lanzilotta; Harry A Dailey
Journal:  Biochemistry       Date:  2012-06-28       Impact factor: 3.162

7.  Molecular simulations study of novel 1,4-dihydropyridines derivatives with a high selectivity for Cav3.1 calcium channel.

Authors:  Xiaoguang Liu; Hui Yu; Xi Zhao; Xu-Ri Huang
Journal:  Protein Sci       Date:  2015-08-25       Impact factor: 6.725

8.  LIPID11: a modular framework for lipid simulations using amber.

Authors:  Åge A Skjevik; Benjamin D Madej; Ross C Walker; Knut Teigen
Journal:  J Phys Chem B       Date:  2012-09-04       Impact factor: 2.991

9.  Binding of protofibrillar Aβ trimers to lipid bilayer surface enhances Aβ structural stability and causes membrane thinning.

Authors:  Xuewei Dong; Yunxiang Sun; Guanghong Wei; Ruth Nussinov; Buyong Ma
Journal:  Phys Chem Chem Phys       Date:  2017-10-18       Impact factor: 3.676

10.  Carbon nanotube-encapsulated drug penetration through the cell membrane: an investigation based on steered molecular dynamics simulation.

Authors:  Seyedeh Zahra Mousavi; Sepideh Amjad-Iranagh; Yousef Nademi; Hamid Modarress
Journal:  J Membr Biol       Date:  2013-08-25       Impact factor: 1.843

View more

北京卡尤迪生物科技股份有限公司 © 2022-2023.