Parmbsc1: a refined force field for DNA simulations
Parmbsc1: a refined force field for DNA simulations
About this item
Full title
Author / Creator
Ivani, Ivan , Dans, Pablo D , Noy, Agnes , Pérez, Alberto , Faustino, Ignacio , Hospital, Adam , Walther, Jürgen , Andrio, Pau , Goñi, Ramon , Balaceanu, Alexandra , Portella, Guillem , Battistini, Federica , Gelpí, Josep Lluis , González, Carlos , Vendruscolo, Michele , Laughton, Charles A , Harris, Sarah A , Case, David A and Orozco, Modesto
Publisher
New York: Nature Publishing Group US
Journal title
Language
English
Formats
Publication information
Publisher
New York: Nature Publishing Group US
Subjects
More information
Scope and Contents
Contents
Parmbsc1, a new force field for DNA simulations, was broadly tested on nearly 100 DNA systems and overcame simulation artifacts that affected previous force fields.
We present parmbsc1, a force field for DNA atomistic simulation, which has been parameterized from high-level quantum mechanical data and tested for nearly 100 systems (representing a total simulation time of ∼140 μs) covering most of DNA structural space. Parmbsc1 provides high-quality results in diverse systems. Parameters and trajectories are available at
http://mmb.irbbarcelona.org/ParmBSC1/
....
Alternative Titles
Full title
Parmbsc1: a refined force field for DNA simulations
Authors, Artists and Contributors
Author / Creator
Dans, Pablo D
Noy, Agnes
Pérez, Alberto
Faustino, Ignacio
Hospital, Adam
Walther, Jürgen
Andrio, Pau
Goñi, Ramon
Balaceanu, Alexandra
Portella, Guillem
Battistini, Federica
Gelpí, Josep Lluis
González, Carlos
Vendruscolo, Michele
Laughton, Charles A
Harris, Sarah A
Case, David A
Orozco, Modesto
Identifiers
Primary Identifiers
Record Identifier
TN_cdi_pubmedcentral_primary_oai_pubmedcentral_nih_gov_4700514
Permalink
https://devfeature-collection.sl.nsw.gov.au/record/TN_cdi_pubmedcentral_primary_oai_pubmedcentral_nih_gov_4700514
Other Identifiers
ISSN
1548-7091
E-ISSN
1548-7105
DOI
10.1038/nmeth.3658
