ResearcherID Thomson Reuters  

Silva, Pedro J
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ResearcherID: B-5586-2008
URL: http://www.researcherid.com/rid/B-5586-2008
Subject: Biochemistry & Molecular Biology; Chemistry
Keywords: reaction mechanisms; computational chemistry; enzyme kinetics
ORCID: http://orcid.org/0000-0001-9316-9275
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My URLs: homepage.ufp.pt/pedros/science/science.htm
 
 

This list contains papers that I have authored.

publication(s)  
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1.  Title: Computational exploration of the reaction mechanism of the Cu + -catalysed synthesis of indoles from N -aryl enaminones
 Author(s): Bernardo, Carlos E. P.; Silva, Pedro J.
 Source: Royal Society Open Science Volume: 3 Issue: 2 Pages: 150582 Published: 2016
 Times Cited: 0
 DOI: 10.1098/rsos.150582 /  Author-provided URL : http://rsos.royalsocietypublishing.org/lookup/doi/10.1098/rsos.150582
added
02-Sep-16
2.  Title: Will 1,2-dihydro-1,2-azaborine-based drugs resist metabolism by cytochrome P450 compound I?
 Author(s): Silva, Pedro J.
 Source: PeerJ Volume: 4 Pages: e2299 Published: 2016
 DOI: 10.7717/peerj.2299 /  Author-provided URL : https://peerj.com/articles/2299
added
02-Sep-16
3.  Title: Mechanistic pathways of mercury removal from the organomercurial lyase active site
 Author(s): Silva, Pedro J.; Rodrigues, Viviana
 Source: PeerJ Volume: 3 Pages: e1127 Published: 2015
 Times Cited: 0
 DOI: 10.7717/peerj.1127 /  Author-provided URL : https://peerj.com/articles/1127
added
02-Sep-16
4.  Title: Computational development of rubromycin-based lead compounds for HIV-1 reverse transcriptase inhibition
 Author(s): Bernardo, Carlos E. P.; Silva, Pedro J.
 Source: PeerJ Volume: 2 Pages: e470 Published: 2014
 Times Cited: 4
 DOI: 10.7717/peerj.470 /  Author-provided URL : https://peerj.com/articles/470
added
02-Sep-16
5.  Title: With or without light: comparing the reaction mechanism of dark-operative protochlorophyllide oxidoreductase with the energetic requirements of the light-dependent protochlorophyllide oxidoreductase
 Author(s): Silva, Pedro J.
 Source: PeerJ Volume: 2 Pages: e551 Published: 2014
 Times Cited: 2
 DOI: 10.7717/peerj.551 /  Author-provided URL : https://peerj.com/articles/551
added
02-Sep-16
6.  Title: BBr 3 -Assisted Cleavage of Most Ethers Does Not Follow the Commonly Assumed Mechanism
 Author(s): Sousa, Carla; Silva, Pedro J.
 Source: European Journal of Organic Chemistry Volume: 2013 Issue: 23 Pages: 5195-5199 Published: 2013
 Times Cited: 4
 DOI: 10.1002/ejoc.201300337 /  Author-provided URL : http://doi.wiley.com/10.1002/ejoc.201300337
added
02-Sep-16
7.  Title: Evaluation of density functional methods on the geometric and energetic descriptions of species involved in Cu⁺-promoted catalysis
 Author(s): Bernardo, Carlos E. P.; Bauman, Nicholas P.; Piecuch, Piotr; et al.
 Source: Journal of molecular modeling Volume: 19 Issue: 12 Pages: 5457-5467 Published: 2013
 Times Cited: 5
 DOI: 10.1007/s00894-013-2045-z /  Author-provided URL : http://www.ncbi.nlm.nih.gov/pubmed/24220926
added
02-Sep-16
8.  Title: Improving the study of proton transfers between amino acid side chains in solution: choosing appropriate DFT functionals and avoiding hidden pitfalls
 Author(s): Silva, Pedro J.; Perez, Marta a S.; Brás, Natércia F.; et al.
 Source: Theoretical Chemistry Accounts Volume: 131 Issue: 3 Pages: 1179 Published: 2012
 Times Cited: 6
 DOI: 10.1007/s00214-012-1179-x /  Author-provided URL : http://link.springer.com/10.1007/s00214-012-1179-x
added
02-Sep-16
9.  Title: Unravelling the Reaction Mechanism of the Reductive Ring Contraction of 1,2-Pyridazines
 Author(s): Silva, Pedro J.
 Source: Journal of Organic Chemistry Volume: 77 Issue: 10 Pages: 4653-4659 Published: MAY 18 2012
 Times Cited: 4
 DOI: 10.1021/jo300448d
added
08-May-13
10.  Title: Accuracy of Density Functionals in the Prediction of Electronic Proton Affinities of Amino Acid Side Chains
 Author(s): Bras, Natercia F.; Perez, Marta A. S.; Fernandes, Pedro A.; et al.
 Source: Journal of Chemical Theory and Computation Volume: 7 Issue: 12 Pages: 3898-3908 Published: DEC 2011
 Times Cited: 25
 DOI: 10.1021/ct200309v
added
08-May-13
publication(s)  
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