Literature DB >> 28471655

HELM Software for Biopolymers.

Jeff Milton1, Tianhong Zhang2, Claire Bellamy3, Eric Swayze1, Christopher Hart1, Markus Weisser4, Sabrina Hecht4, Sergio Rotstein2.   

Abstract

Hierarchical Editing Language for Macromolecules (HELM version 2.0) is a molecular line notation similar to SMILEs but specifically for communicating and managing biopolymer structures. The HELM project, part of the Pistoia Alliance nonprofit organization, has been tasked to develop and promote HELM as a global exchange format and recently released version 2.0 of the specification. Here we will describe the specifics of the HELM v2.0 notation along with the large ecosystem of software to support HELM-based structure management. We will highlight a recent open-source software and database for HELM monomers and a new, simpler approach to deploying a large complicated molecular management system.

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Year:  2017        PMID: 28471655     DOI: 10.1021/acs.jcim.6b00442

Source DB:  PubMed          Journal:  J Chem Inf Model        ISSN: 1549-9596            Impact factor:   4.956


  5 in total

Review 1.  Annotation of Peptide Structures Using SMILES and Other Chemical Codes-Practical Solutions.

Authors:  Piotr Minkiewicz; Anna Iwaniak; Małgorzata Darewicz
Journal:  Molecules       Date:  2017-11-27       Impact factor: 4.411

2.  rBAN: retro-biosynthetic analysis of nonribosomal peptides.

Authors:  Emma Ricart; Valérie Leclère; Areski Flissi; Markus Mueller; Maude Pupin; Frédérique Lisacek
Journal:  J Cheminform       Date:  2019-02-08       Impact factor: 5.514

Review 3.  Molecular representations in AI-driven drug discovery: a review and practical guide.

Authors:  Laurianne David; Amol Thakkar; Rocío Mercado; Ola Engkvist
Journal:  J Cheminform       Date:  2020-09-17       Impact factor: 5.514

4.  Proposal of the Annotation of Phosphorylated Amino Acids and Peptides Using Biological and Chemical Codes.

Authors:  Piotr Minkiewicz; Małgorzata Darewicz; Anna Iwaniak; Marta Turło
Journal:  Molecules       Date:  2021-01-29       Impact factor: 4.411

5.  PFRED: A computational platform for siRNA and antisense oligonucleotides design.

Authors:  Simone Sciabola; Hualin Xi; Dario Cruz; Qing Cao; Christine Lawrence; Tianhong Zhang; Sergio Rotstein; Jason D Hughes; Daniel R Caffrey; Robert V Stanton
Journal:  PLoS One       Date:  2021-01-22       Impact factor: 3.240

  5 in total

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