Molden 2.0: quantum chemistry meets proteins

Since the first distribution of Molden in 1995 and the publication of the first article about this software in 2000 work on Molden has continued relentlessly. A few of the many improved or fully novel features such as improved and broadened support for quantum chemistry calculations, preparation of...

Descripción completa

Detalles Bibliográficos
Autores principales: Schaftenaar, Gijs, Vlieg, Elias, Vriend, Gert
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Springer International Publishing 2017
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5633641/
https://www.ncbi.nlm.nih.gov/pubmed/28752344
http://dx.doi.org/10.1007/s10822-017-0042-5
_version_ 1783269926843187200
author Schaftenaar, Gijs
Vlieg, Elias
Vriend, Gert
author_facet Schaftenaar, Gijs
Vlieg, Elias
Vriend, Gert
author_sort Schaftenaar, Gijs
collection PubMed
description Since the first distribution of Molden in 1995 and the publication of the first article about this software in 2000 work on Molden has continued relentlessly. A few of the many improved or fully novel features such as improved and broadened support for quantum chemistry calculations, preparation of ligands for use in drug design related softwares, and working with proteins for the purpose of ligand docking.
format Online
Article
Text
id pubmed-5633641
institution National Center for Biotechnology Information
language English
publishDate 2017
publisher Springer International Publishing
record_format MEDLINE/PubMed
spelling pubmed-56336412017-10-23 Molden 2.0: quantum chemistry meets proteins Schaftenaar, Gijs Vlieg, Elias Vriend, Gert J Comput Aided Mol Des Article Since the first distribution of Molden in 1995 and the publication of the first article about this software in 2000 work on Molden has continued relentlessly. A few of the many improved or fully novel features such as improved and broadened support for quantum chemistry calculations, preparation of ligands for use in drug design related softwares, and working with proteins for the purpose of ligand docking. Springer International Publishing 2017-07-27 2017 /pmc/articles/PMC5633641/ /pubmed/28752344 http://dx.doi.org/10.1007/s10822-017-0042-5 Text en © The Author(s) 2017 Open AccessThis article is distributed under the terms of the Creative Commons Attribution 4.0 International License (http://creativecommons.org/licenses/by/4.0/), which permits unrestricted use, distribution, and reproduction in any medium, provided you give appropriate credit to the original author(s) and the source, provide a link to the Creative Commons license, and indicate if changes were made.
spellingShingle Article
Schaftenaar, Gijs
Vlieg, Elias
Vriend, Gert
Molden 2.0: quantum chemistry meets proteins
title Molden 2.0: quantum chemistry meets proteins
title_full Molden 2.0: quantum chemistry meets proteins
title_fullStr Molden 2.0: quantum chemistry meets proteins
title_full_unstemmed Molden 2.0: quantum chemistry meets proteins
title_short Molden 2.0: quantum chemistry meets proteins
title_sort molden 2.0: quantum chemistry meets proteins
topic Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5633641/
https://www.ncbi.nlm.nih.gov/pubmed/28752344
http://dx.doi.org/10.1007/s10822-017-0042-5
work_keys_str_mv AT schaftenaargijs molden20quantumchemistrymeetsproteins
AT vliegelias molden20quantumchemistrymeetsproteins
AT vriendgert molden20quantumchemistrymeetsproteins

Ejemplares similares