1. A new scoring function for protein–protein docking that identifies native structures with unprecedented accuracy. Issue 4 (9th December 2014) Authors: Moreira, Irina S.; Martins, João M.; Coimbra, João T. S.; Ramos, Maria J.; Fernandes, Pedro A. Journal: Physical chemistry chemical physics Issue: Volume 17:Issue 4(2015) Page Start: 2378 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
2. A QM/MM approach on the structural and stereoelectronic factors governing glycosylation by GTF-SI from Streptococcus mutans. Issue 14 (20th March 2018) Authors: Jaña, Gonzalo A.; Mendoza, Fernanda; Osorio, Manuel I.; Alderete, Joel B.; Fernandes, Pedro A.; Ramos, Maria J.; Jiménez, Verónica A. Journal: Organic & biomolecular chemistry Issue: Volume 16:Issue 14(2018) Page Start: 2438 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
3. A QM/MM study of the reaction mechanism of human β-ketoacyl reductase. Issue 1 (1st December 2016) Authors: Medina, Fabiola E.; Neves, Rui P. P.; Ramos, Maria J.; Fernandes, Pedro A. Journal: Physical chemistry chemical physics Issue: Volume 19:Issue 1(2017) Page Start: 347 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
4. Alkyl vs. aryl modifications: a comparative study on modular modifications of triphenylphosphonium mitochondrial vectors. Issue 6 (7th September 2021) Authors: Ong, How Chee; Coimbra, João T. S.; Kwek, Germain; Ramos, Maria J.; Xing, Bengang; Fernandes, Pedro A.; García, Felipe Journal: RSC chemical biology Issue: Volume 2:Issue 6(2021) Page Start: 1643 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
5. Assessing the validity of DLPNO‐CCSD(T) in the calculation of activation and reaction energies of ubiquitous enzymatic reactions. Issue 29 (3rd September 2020) Authors: Paiva, Pedro; Ramos, Maria J.; Fernandes, Pedro A. Journal: Journal of computational chemistry Issue: Volume 41:Issue 29(2020) Page Start: 2459 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
6. Benchmarking of density functionals for the kinetics and thermodynamics of the hydrolysis of glycosidic bonds catalyzed by glycosidases. Issue 18 (31st May 2017) Authors: Pereira, Andreia T.; Ribeiro, António J. M.; Fernandes, Pedro A.; Ramos, Maria J. Journal: International journal of quantum chemistry Issue: Volume 117:Issue 18(2017) Page Start: n/a Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
7. Beyond the TPP+ "gold standard": a new generation mitochondrial delivery vector based on extended PN frameworks. Issue 15 (28th March 2023) Authors: Ong, How Chee; Coimbra, João T. S.; Ramos, Maria J.; Xing, Bengang; Fernandes, Pedro A.; García, Felipe Journal: Chemical science Issue: Volume 14:Issue 15(2023) Page Start: 4126 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
8. Binding free energy calculations on E‐selectin complexes with sLex oligosaccharide analogs. (21st September 2016) Authors: Barra, Pabla A.; Ribeiro, António J. M.; Ramos, Maria J.; Jiménez, Verónica A.; Alderete, Joel B.; Fernandes, Pedro A. Journal: Chemical biology & drug design Issue: Volume 89:Number 1(2017) Page Start: 114 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
9. Challenges in spectroscopy: accuracy versus interpretation from isolated molecules to condensed phases. Issue 7 (1st February 2019) Authors: Puzzarini, Cristina; de Lara-Castells, Maria Pilar; Ramos, Maria J. Journal: Physical chemistry chemical physics Issue: Volume 21:Issue 7(2019) Page Start: 3395 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
10. Chem‐path‐tracker: An Automated Tool to Analyze Chemical Motifs in Molecular Structures. (7th June 2014) Authors: Ribeiro, João V.; Cerqueira, N. M. F. S. A.; Fernandes, Pedro A.; Ramos, Maria J. Journal: Chemical biology & drug design Issue: Volume 84:Number 1(2014:Jul.) Page Start: 44 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗