Balancing selectivity vs stability using molecular dynamics and umbrella sampling

Detalles Bibliográficos
Autores principales: Mortier, Jeremie, Nyakatura, Elisabeth K, Miettinen, Markus, Baldauf, Carsten, Wolber, Gerhard, Koksch, Beate
Formato: Online Artículo Texto
Lenguaje:English
Publicado: BioMed Central 2014
Materias:
Oral Presentation
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3980163/
https://www.ncbi.nlm.nih.gov/pubmed/24765121
http://dx.doi.org/10.1186/1758-2946-6-S1-O22
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author Mortier, Jeremie
Nyakatura, Elisabeth K
Miettinen, Markus
Baldauf, Carsten
Wolber, Gerhard
Koksch, Beate
author_facet Mortier, Jeremie
Nyakatura, Elisabeth K
Miettinen, Markus
Baldauf, Carsten
Wolber, Gerhard
Koksch, Beate
author_sort Mortier, Jeremie
collection PubMed
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spelling pubmed-39801632014-04-22 Balancing selectivity vs stability using molecular dynamics and umbrella sampling Mortier, Jeremie Nyakatura, Elisabeth K Miettinen, Markus Baldauf, Carsten Wolber, Gerhard Koksch, Beate J Cheminform Oral Presentation BioMed Central 2014-03-11 /pmc/articles/PMC3980163/ /pubmed/24765121 http://dx.doi.org/10.1186/1758-2946-6-S1-O22 Text en Copyright © 2014 Mortier et al; licensee Chemistry Central Ltd. http://creativecommons.org/licenses/by/2.0 This is an Open Access article distributed under the terms of the Creative Commons Attribution License (http://creativecommons.org/licenses/by/2.0), which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited. The Creative Commons Public Domain Dedication waiver (http://creativecommons.org/publicdomain/zero/1.0/) applies to the data made available in this article, unless otherwise stated.
spellingShingle Oral Presentation
Mortier, Jeremie
Nyakatura, Elisabeth K
Miettinen, Markus
Baldauf, Carsten
Wolber, Gerhard
Koksch, Beate
Balancing selectivity vs stability using molecular dynamics and umbrella sampling
title Balancing selectivity vs stability using molecular dynamics and umbrella sampling
title_full Balancing selectivity vs stability using molecular dynamics and umbrella sampling
title_fullStr Balancing selectivity vs stability using molecular dynamics and umbrella sampling
title_full_unstemmed Balancing selectivity vs stability using molecular dynamics and umbrella sampling
title_short Balancing selectivity vs stability using molecular dynamics and umbrella sampling
title_sort balancing selectivity vs stability using molecular dynamics and umbrella sampling
topic Oral Presentation
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3980163/
https://www.ncbi.nlm.nih.gov/pubmed/24765121
http://dx.doi.org/10.1186/1758-2946-6-S1-O22
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