Literature DB >> 18227118

Utility library for structural bioinformatics.

Dominik Gront1, Andrzej Kolinski.   

Abstract

In this Note we present a new software library for structural bioinformatics. The library contains programs, computing sequence- and profile-based alignments and a variety of structural calculations with user-friendly handling of various data formats. The software organization is very flexible. Algorithms are written in Java language and may be used by Java programs. Moreover the modules can be accessed from Jython (Python scripting language implemented in Java) scripts. Finally, the new version of BioShell delivers several utility programs that can do typical bioinformatics task from a command-line level. Availability The software is available for download free of charge from its website: http://bioshell.chem.uw.edu.pl. This website provides also numerous examples, code snippets and API documentation.

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Year:  2008        PMID: 18227118     DOI: 10.1093/bioinformatics/btm627

Source DB:  PubMed          Journal:  Bioinformatics        ISSN: 1367-4803            Impact factor:   6.937


  15 in total

1.  Stabilizing effect of knots on proteins.

Authors:  Joanna I Sułkowska; Piotr Sulkowski; P Szymczak; Marek Cieplak
Journal:  Proc Natl Acad Sci U S A       Date:  2008-12-08       Impact factor: 11.205

2.  Dodging the crisis of folding proteins with knots.

Authors:  Joanna I Sułkowska; Piotr Sułkowski; José Onuchic
Journal:  Proc Natl Acad Sci U S A       Date:  2009-02-11       Impact factor: 11.205

3.  Fast and accurate methods for predicting short-range constraints in protein models.

Authors:  Dominik Gront; Andrzej Kolinski
Journal:  J Comput Aided Mol Des       Date:  2008-04-15       Impact factor: 3.686

4.  Theoretical study of molecular mechanism of binding TRAP220 coactivator to Retinoid X Receptor alpha, activated by 9-cis retinoic acid.

Authors:  Mateusz Kurcinski; Andrzej Kolinski
Journal:  J Steroid Biochem Mol Biol       Date:  2010-04-14       Impact factor: 4.292

5.  How Does the Methodology of 3D Structure Preparation Influence the Quality of pKa Prediction?

Authors:  Stanislav Geidl; Radka Svobodová Vařeková; Veronika Bendová; Lukáš Petrusek; Crina-Maria Ionescu; Zdeněk Jurka; Ruben Abagyan; Jaroslav Koča
Journal:  J Chem Inf Model       Date:  2015-06-11       Impact factor: 4.956

6.  Measurement and analysis of sarcomere length in rat cardiomyocytes in situ and in vitro.

Authors:  G Bub; P Camelliti; C Bollensdorff; D J Stuckey; G Picton; R A B Burton; K Clarke; P Kohl
Journal:  Am J Physiol Heart Circ Physiol       Date:  2010-03-12       Impact factor: 4.733

7.  Assessing the accuracy of template-based structure prediction metaservers by comparison with structural genomics structures.

Authors:  Dominik Gront; Marek Grabowski; Matthew D Zimmerman; John Raynor; Karolina L Tkaczuk; Wladek Minor
Journal:  J Struct Funct Genomics       Date:  2012-10-20

8.  Generalized fragment picking in Rosetta: design, protocols and applications.

Authors:  Dominik Gront; Daniel W Kulp; Robert M Vernon; Charlie E M Strauss; David Baker
Journal:  PLoS One       Date:  2011-08-24       Impact factor: 3.240

9.  Simulation of chaperonin effect on protein folding: a shift from nucleation-condensation to framework mechanism.

Authors:  Sebastian Kmiecik; Andrzej Kolinski
Journal:  J Am Chem Soc       Date:  2011-06-10       Impact factor: 15.419

10.  Combining coarse-grained protein models with replica-exchange all-atom molecular dynamics.

Authors:  Jacek Wabik; Sebastian Kmiecik; Dominik Gront; Maksim Kouza; Andrzej Koliński
Journal:  Int J Mol Sci       Date:  2013-05-10       Impact factor: 5.923

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