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Publication details

Document type
Journal articles

Document subtype
Full paper

Title
Increasing the Realism of in Silico pHLIP Peptide Models with a Novel pH Gradient CpHMD Method

Participants in the publication
Tomás F. D. Silva (Author)
Diogo Vila-Viçosa (Author)
Miguel Machuqueiro (Author)
Dep. Química e Bioquímica
BioISI

Date of Publication
2022-10-18

Where published
Journal of Chemical Theory and Computation

Publication Identifiers
ISSN - 1549-9618

Publisher
American Chemical Society (ACS)

Volume
18
Number
11

Number of pages
10
Starting page
6472
Last page
6481

Document Identifiers
DOI - https://doi.org/10.1021/acs.jctc.2c00880
URL - http://dx.doi.org/10.1021/acs.jctc.2c00880

Rankings
SCIMAGO Q1 (2021) - 1619 - Physical and Theoretical Chemistry
Web Of Science Q1 (2021) - 6.578 - PHYSICS, ATOMIC, MOLECULAR & CHEMICAL - SCIE
SCOPUS Q1 (2021) - 10 - Physical and Theoretical Chemistry


Export

APA
Tomás F. D. Silva, Diogo Vila-Viçosa, Miguel Machuqueiro, (2022). Increasing the Realism of in Silico pHLIP Peptide Models with a Novel pH Gradient CpHMD Method. Journal of Chemical Theory and Computation, 18, 6472-6481. ISSN 1549-9618. eISSN . http://dx.doi.org/10.1021/acs.jctc.2c00880

IEEE
Tomás F. D. Silva, Diogo Vila-Viçosa, Miguel Machuqueiro, "Increasing the Realism of in Silico pHLIP Peptide Models with a Novel pH Gradient CpHMD Method" in Journal of Chemical Theory and Computation, vol. 18, pp. 6472-6481, 2022. 10.1021/acs.jctc.2c00880

BIBTEX
@article{57039, author = {Tomás F. D. Silva and Diogo Vila-Viçosa and Miguel Machuqueiro}, title = {Increasing the Realism of in Silico pHLIP Peptide Models with a Novel pH Gradient CpHMD Method}, journal = {Journal of Chemical Theory and Computation}, year = 2022, pages = {6472-6481}, volume = 18 }