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Publication details

Document type
Journal articles

Document subtype
Full paper

Title
A pH Replica Exchange Scheme in the Stochastic Titration Constant-pH MD Method

Participants in the publication
Diogo Vila-Viçosa (Author)
Dep. Química e Bioquímica
CQB - Centro de Química e Bioquímica 
BIOISI - Instituto de Biossistemas e Ciências Integrativas
Pedro B. P. S. Reis (Author)
António M. Baptista (Author)
Chris Oostenbrink (Author)
Miguel Machuqueiro (Author)
Dep. Química e Bioquímica
CQB - Centro de Química e Bioquímica 
BIOISI - Instituto de Biossistemas e Ciências Integrativas

Date of Publication
2019-03-25

Where published
Journal of Chemical Theory and Computation

Publication Identifiers
ISSN - 1549-9618,1549-9626

Publisher
American Chemical Society (ACS)

Volume
15
Number
5

Number of pages
8
Starting page
3108
Last page
3116

Document Identifiers
DOI - https://doi.org/10.1021/acs.jctc.9b00030
URL - http://dx.doi.org/10.1021/acs.jctc.9b00030


Export

APA
Diogo Vila-Viçosa, Pedro B. P. S. Reis, António M. Baptista, Chris Oostenbrink, Miguel Machuqueiro, (2019). A pH Replica Exchange Scheme in the Stochastic Titration Constant-pH MD Method. Journal of Chemical Theory and Computation, 15, 3108-3116. ISSN 1549-9618,1549-9626. eISSN . http://dx.doi.org/10.1021/acs.jctc.9b00030

IEEE
Diogo Vila-Viçosa, Pedro B. P. S. Reis, António M. Baptista, Chris Oostenbrink, Miguel Machuqueiro, "A pH Replica Exchange Scheme in the Stochastic Titration Constant-pH MD Method" in Journal of Chemical Theory and Computation, vol. 15, pp. 3108-3116, 2019. 10.1021/acs.jctc.9b00030

BIBTEX
@article{44069, author = {Diogo Vila-Viçosa and Pedro B. P. S. Reis and António M. Baptista and Chris Oostenbrink and Miguel Machuqueiro}, title = {A pH Replica Exchange Scheme in the Stochastic Titration Constant-pH MD Method}, journal = {Journal of Chemical Theory and Computation}, year = 2019, pages = {3108-3116}, volume = 15 }