Literature DB >> 27317625

CarbBuilder: Software for building molecular models of complex oligo- and polysaccharide structures.

Michelle M Kuttel1, Jonas Ståhle2, Göran Widmalm2.   

Abstract

CarbBuilder is a portable software tool for producing three-dimensional molecular models of carbohydrates from the simple text specification of a primary structure. CarbBuilder can generate a wide variety of carbohydrate structures, ranging from monosaccharides to large, branched polysaccharides. Version 2.0 of the software, described in this article, supports monosaccharides of both mammalian and bacterial origin and a range of substituents for derivatization of individual sugar residues. This improved version has a sophisticated building algorithm to explore the range of possible conformations for a specified carbohydrate molecule. Illustrative examples of models of complex polysaccharides produced by CarbBuilder demonstrate the capabilities of the software. CarbBuilder is freely available under the Artistic License 2.0 from https://people.cs.uct.ac.za/~mkuttel/Downloads.html.
© 2016 Wiley Periodicals, Inc. © 2016 Wiley Periodicals, Inc.

Entities:  

Keywords:  3D model; C. Albicans; Shigella flexneri; carbohydrate; polysaccharide conformation

Year:  2016        PMID: 27317625     DOI: 10.1002/jcc.24428

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


  23 in total

1.  Fluorescence and NMR spectroscopy together with molecular simulations reveal amphiphilic characteristics of a Burkholderia biofilm exopolysaccharide.

Authors:  Michelle M Kuttel; Paola Cescutti; Marco Distefano; Roberto Rizzo
Journal:  J Biol Chem       Date:  2017-05-03       Impact factor: 5.157

2.  The 1.9 Å crystal structure of the extracellular matrix protein Bap1 from Vibrio cholerae provides insights into bacterial biofilm adhesion.

Authors:  Katherine Kaus; Alison Biester; Ethan Chupp; Jianyi Lu; Charlie Visudharomn; Rich Olson
Journal:  J Biol Chem       Date:  2019-08-22       Impact factor: 5.157

3.  Cross-reactivity of Haemophilus influenzae type a and b polysaccharides: molecular modeling and conjugate immunogenicity studies.

Authors:  Nicole I Richardson; Michelle M Kuttel; Frank St Michael; Chantelle Cairns; Andrew D Cox; Neil Ravenscroft
Journal:  Glycoconj J       Date:  2021-09-07       Impact factor: 2.916

4.  Enhanced Photoacoustic Detection of Heparin in Whole Blood via Melanin Nanocapsules Carrying Molecular Agents.

Authors:  Wonjun Yim; Kathryn Takemura; Jiajing Zhou; Jingcheng Zhou; Zhicheng Jin; Raina M Borum; Ming Xu; Yong Cheng; Tengyu He; William Penny; Bill R Miller; Jesse V Jokerst
Journal:  ACS Nano       Date:  2021-12-28       Impact factor: 18.027

5.  CHARMM-GUI Glycan Modeler for modeling and simulation of carbohydrates and glycoconjugates.

Authors:  Sang-Jun Park; Jumin Lee; Yifei Qi; Nathan R Kern; Hui Sun Lee; Sunhwan Jo; InSuk Joung; Keehyung Joo; Jooyoung Lee; Wonpil Im
Journal:  Glycobiology       Date:  2019-04-01       Impact factor: 4.313

6.  Structural characterization of an all-aminosugar-containing capsular polysaccharide from Colwellia psychrerythraea 34H.

Authors:  Angela Casillo; Jonas Ståhle; Ermenegilda Parrilli; Filomena Sannino; Daniel E Mitchell; Giuseppina Pieretti; Matthew I Gibson; Gennaro Marino; Rosa Lanzetta; Michelangelo Parrilli; Göran Widmalm; Maria L Tutino; Maria M Corsaro
Journal:  Antonie Van Leeuwenhoek       Date:  2017-02-04       Impact factor: 2.271

7.  Glycan Reader is improved to recognize most sugar types and chemical modifications in the Protein Data Bank.

Authors:  Sang-Jun Park; Jumin Lee; Dhilon S Patel; Hongjing Ma; Hui Sun Lee; Sunhwan Jo; Wonpil Im
Journal:  Bioinformatics       Date:  2017-10-01       Impact factor: 6.937

8.  Conformational and Immunogenicity Studies of the Shigella flexneri Serogroup 6 O-Antigen: The Effect of O-Acetylation.

Authors:  Nicole Inge Richardson; Neil Ravenscroft; Vanessa Arato; Davide Oldrini; Francesca Micoli; Michelle M Kuttel
Journal:  Vaccines (Basel)       Date:  2021-04-27

9.  Sulfation and Calcium Favor Compact Conformations of Chondroitin in Aqueous Solutions.

Authors:  Olgun Guvench; Elizabeth K Whitmore
Journal:  ACS Omega       Date:  2021-05-11

10.  Genomic Insertion of a Heterologous Acetyltransferase Generates a New Lipopolysaccharide Antigenic Structure in Brucella abortus and Brucella melitensis.

Authors:  Estrella Martínez-Gómez; Jonas Ståhle; Yolanda Gil-Ramírez; Amaia Zúñiga-Ripa; Mona Zaccheus; Ignacio Moriyón; Maite Iriarte; Göran Widmalm; Raquel Conde-Álvarez
Journal:  Front Microbiol       Date:  2018-05-25       Impact factor: 5.640

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