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Publication details

Document type
Journal articles

Document subtype
Full paper

Title
Improved GROMOS 54A7 Charge Sets for Phosphorylated Tyr, Ser, and Thr to Deal with pH-Dependent Binding Phenomena

Participants in the publication
Nuno F. B. Oliveira (Author)
Inês D. S. Pires (Author)
Miguel Machuqueiro (Author)
Dep. Química e Bioquímica
BIOISI - Instituto de Biossistemas e Ciências Integrativas

Date of Publication
2020-08-18

Where published
Journal of Chemical Theory and Computation

Publication Identifiers
ISSN - 1549-9618

Publisher
American Chemical Society (ACS)

Volume
16
Number
10

Number of pages
8
Starting page
6368
Last page
6376

Document Identifiers
DOI - https://doi.org/10.1021/acs.jctc.0c00529
URL - http://dx.doi.org/10.1021/acs.jctc.0c00529

Rankings
SCIMAGO Q1 (2019) - 1.759 - Computer Science Applications
SCIMAGO Q1 (2019) - 1.759 - Physical and Theoretical Chemistry
SCOPUS Q1 (2019) - 9.2 - Physical and Theoretical Chemistry
SCOPUS Q1 (2019) - 9.2 - Computer Science Applications
Web Of Science 5.011 (2019) - Q2 - CHEMISTRY, PHYSICAL - SCIE
Web Of Science 5.011 (2019) - Q1 - PHYSICS, ATOMIC, MOLECULAR & CHEMICAL - SCIE


Export

APA
Nuno F. B. Oliveira, Inês D. S. Pires, Miguel Machuqueiro, (2020). Improved GROMOS 54A7 Charge Sets for Phosphorylated Tyr, Ser, and Thr to Deal with pH-Dependent Binding Phenomena. Journal of Chemical Theory and Computation, 16, 6368-6376. ISSN 1549-9618. eISSN . http://dx.doi.org/10.1021/acs.jctc.0c00529

IEEE
Nuno F. B. Oliveira, Inês D. S. Pires, Miguel Machuqueiro, "Improved GROMOS 54A7 Charge Sets for Phosphorylated Tyr, Ser, and Thr to Deal with pH-Dependent Binding Phenomena" in Journal of Chemical Theory and Computation, vol. 16, pp. 6368-6376, 2020. 10.1021/acs.jctc.0c00529

BIBTEX
@article{47942, author = {Nuno F. B. Oliveira and Inês D. S. Pires and Miguel Machuqueiro}, title = {Improved GROMOS 54A7 Charge Sets for Phosphorylated Tyr, Ser, and Thr to Deal with pH-Dependent Binding Phenomena}, journal = {Journal of Chemical Theory and Computation}, year = 2020, pages = {6368-6376}, volume = 16 }