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Google Scholar profile
https://cqe.tecnico.ulisboa.pt/expert/rafael-nunes/

Other IDs

ResearcherID: H-8983-2016
Scopus Author ID: 56973529200
Ciência ID: D31F-119C-44C5

Keywords

Carbohydrate chemistry, Medicinal chemistry, Organic chemistry, Computational chemistry, Biomolecular simulation, Molecular recognition, Noncovalent interactions

Countries

Portugal

Activities

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Employment (5)

Universidade de Lisboa Faculdade de Ciências: Lisboa, Lisboa, PT

2017-03 to present | PhD Fellow (funded by Fundação para a Ciência e a Tecnologia)
Employment
Source: Self-asserted source
Rafael Nunes

Universidade de Lisboa: Lisboa, Lisboa, PT

2016-09 to 2017-02 | Research Fellow (funded by Fundação para a Ciência e a Tecnologia)
Employment
Source: Self-asserted source
Rafael Nunes

Universidade de Lisboa Centro de Química e Bioquímica: Lisboa, Lisboa, PT

2013-09 to 2016-08 | Research Collaborator
Employment
Source: Self-asserted source
Rafael Nunes

Universidade de Lisboa Faculdade de Farmácia: Lisboa, Lisboa, PT

2011-02 to 2013-07 | Research Collaborator
Employment
Source: Self-asserted source
Rafael Nunes

Universidade Nova de Lisboa Instituto de Tecnologia Química e Biológica: Oeiras, Lisboa, PT

2009-10 to 2010-10 | Research Integration Fellow (funded by Fundação para a Ciência e a Tecnologia)
Employment
Source: Self-asserted source
Rafael Nunes

Education and qualifications (4)

American Chemical Society: Washington D.C., DC, US

ACS Reviewer Lab Certificate of Completion (ACS Reviewer Lab)
Education
Source: check_circle
American Chemical Society Reviewers Lab

Faculdade de Ciências, Universidade de Lisboa: Lisbon, PT

2012-09 to 2015-10 | MSc/Chemistry
Education
Source: Self-asserted source
Rafael Nunes

Faculdade de Ciências, Universidade de Lisboa: Lisbon, PT

2008-09 to 2012-09 | BSc/Biochemistry
Education
Source: Self-asserted source
Rafael Nunes

Instituto de Tecnologia Química e Biológica, Universidade Nova de Lisboa: Oeiras, PT

2009-10 to 2010-12 | University Extension Course - Research Integration/Bioorganic Chemistry
Education
Source: Self-asserted source
Rafael Nunes

Professional activities (1)

Sociedade Portuguesa de Química: Lisbon, Lisbon, PT

2012 to present
Membership
Source: Self-asserted source
Rafael Nunes

Funding (6)

Development of novel nucleotide and sugar diphosphate mimetics as potential antibacterial agents targeting the peptidoglycan biosynthetic pathway

2022-01-02 to 2023-07-01 | Contract
Fundação para a Ciência e a Tecnologia (Lisboa, PT)
GRANT_NUMBER:

EXPL/MED-QUI/1017/2021
Source: check_circle
CIÊNCIAVITAE

Monosaccharide analogues as novel therapeutic agents to block glycan-driven cancer cell metastasis

2022-01-01 to 2024-12-31 | Contract
Fundação para a Ciência e a Tecnologia (Lisboa, PT)
GRANT_NUMBER:

PTDC/MED-QUI/2335/2021
Source: check_circle
CIÊNCIAVITAE

Uncovering blind spots in halogen bonding applications

2018-07 to 2021-06 | Contract
Fundação para a Ciência e a Tecnologia (Lisboa, PT)
GRANT_NUMBER:

PTDC/QUI-QFI/28455/2017

GRANT_NUMBER:

LISBOA-01- 0145-FEDER-028455
Source: check_circle
CIÊNCIAVITAE

Molecular modeling of halogen bonds towards applications in drug design

2017-03-01 to 2021-06-30 | Grant
Fundação para a Ciência e a Tecnologia (Lisboa, PT)
GRANT_NUMBER:

SFRH/BD/116614/2016

GRANT_NUMBER:

COVID/BD/151785/2021
Source: check_circle
CIÊNCIAVITAE

Halogen bonds in (bio)chemical systems: a theoretical approach for ‘real world’ applications

2017-03-01 to 2020-04 | Contract
Fundação para a Ciência e a Tecnologia (Lisboa, PT)
GRANT_NUMBER:

IF/00069/2014/CP1216/CT0006
Source: check_circle
CIÊNCIAVITAE

Synthesis of sugar derivatives for protein stabilisation studies

2009-10 to 2010-10 | Grant
Fundação para a Ciência e a Tecnologia (Lisboa, PT)
GRANT_NUMBER:

034/BII/2009
Source: check_circle
CIÊNCIAVITAE

Works (23)

5'-Guanidino Xylofuranosyl Nucleosides as Novel Types of 5'-Functionalized Nucleosides with Therapeutic Potential

2025-01-31 | Preprint
DOI: 10.26434/chemrxiv-2025-5tk44
Contributors: Nuno Manuel Xavier; Jennifer Szilagyi; Tânia Moreira; Rafael Santana Nunes; Joana Silva; Celso Celso Alves; Alice I. Martins; Rebeca Alvariño; Niels V. Heise; René Csuk
Source: check_circle
Crossref

Synthesis and Antiproliferative Evaluation of d‐Glucuronamide‐Based Nucleosides and (Triazolyl)methyl Amide‐Linked Pseudodisaccharide Nucleosides**

ChemMedChem
2024-02 | Journal article
DOI: 10.1002/cmdc.202300608
Contributors: Tânia Moreira; Domingos M. Manuel; Joana Rosa; Rafael Santana Nunes; Veronika Vojáčková; Radek Jorda; M. Conceição Oliveira; Nuno M. Xavier
Source: check_circle
Crossref

Synthesis and Antiproliferative Evaluation of Novel D-Glucuronamide-based Nucleosides and (Triazolyl)methyl Amide-linked Pseudodisaccharide Nucleosides

ChemRxiv
2023 | Journal article
DOI: 10.26434/CHEMRXIV-2023-RH8CK
WOSUID: PPRN:73588957
Contributors: Moreira, Tania; Manuel, Domingos M.; Rosa, Joana; Nunes, Rafael; Vojackova, Veronika; Jorda, Radek; Oliveira, M. Conceicao; Xavier, Nuno Manuel
Source: check_circle
Web of Science Researcher Profile Sync
grade
Preferred source (of 2)‎

Halogen bonding in membrane-ligand recognition: Insights from computational biophysics

20th IUPAB International Congress, 45th SBBf Congress and 50th Annual Meeting of SBBq
2021-10-28 | Conference abstract
DOI: 10.1007/s12551-021-00845-2
SOURCE-WORK-ID:

cv-prod-id-3047126
Contributors: Nunes, Rafael de Santana; Vila-Viçosa, Diogo; Costa, Paulo J.
Source: check_circle
CIÊNCIAVITAE

Halogen Bonding: An Underestimated Player in Membrane–Ligand Interactions

Journal of the American Chemical Society
2021-03-24 | Journal article
DOI: 10.1021/jacs.0c12470
Contributors: Rafael Santana Nunes; Diogo Vila-Viçosa; Paulo J. Costa
Source: check_circle
Crossref

Halogen bonding: an underestimated player in membrane-ligand interactions

2021-02-01 | Other
DOI: 10.26434/chemrxiv.11894547.v3
Contributors: Rafael Nunes; Diogo Vila Viçosa; Paulo J. Costa
Source: check_circle
Crossref
grade
Preferred source (of 6)‎

Glucosylpolyphenols as Inhibitors of Aβ-Induced Fyn Kinase Activation and Tau Phosphorylation: Synthesis, Membrane Permeability, and Exploratory Target Assessment within the Scope of Type 2 Diabetes and Alzheimer’s Disease

Journal of Medicinal Chemistry
2020-10-22 | Journal article
DOI: 10.1021/acs.jmedchem.0c00841
Contributors: Ana M. de Matos; M. Teresa Blázquez-Sánchez; Andreia Bento-Oliveira; Rodrigo F. M. de Almeida; Rafael Nunes; Pedro E. M. Lopes; Miguel Machuqueiro; Joana S. Cristóvão; Cláudio M. Gomes; Cleide S. Souza et al.
Source: check_circle
Crossref

<em>In silico </em>design of halogenated carbohydrate mimetics as potential halogen-bonding ligands

Proceedings of MOL2NET 2018, International Conference on Multidisciplinary Sciences, Edition
2019 | Conference paper
DOI: 10.3390/MOL2NET-04-06125
Source: check_circle
Web of Science Researcher Profile Sync
grade
Preferred source (of 3)‎

Folding of cyclic peptides stabilized by halogen bonds

European Biophysics Journal
2019 | Journal article
WOSUID: WOS:000473420400662
Contributors: Vila-Vicosa, D.; Nunes, R.; Costa, P. J.
Source: check_circle
Web of Science Researcher Profile Sync
grade
Preferred source (of 2)‎

Improved modeling of halogen-protein interactions in biomolecular simulations using a GROMOS force field

European Biophysics Journal
2019 | Journal article
WOSUID: WOS:000473420400669
Contributors: Nunes, R.; Vila-Vicosa, D.; Machuqueiro, M.; Costa, P. J.
Source: check_circle
Web of Science Researcher Profile Sync

Tackling halogenated species in biomolecular systems with force field methods: MD sampling and PBSA solvation energies

European Biophysics Journal
2019 | Journal article
WOSUID: WOS:000473420400663
Contributors: Costa, P. J.; Vila-Vicosa, D.; Nunes, R.
Source: check_circle
Web of Science Researcher Profile Sync

Halogen bonding in halocarbon-protein complexes and computational tools for rational drug design

Expert Opinion on Drug Discovery
2019-08-03 | Journal article
DOI: 10.1080/17460441.2019.1619692
Contributors: Paulo J. Costa; Rafael Nunes; Diogo Vila-Viçosa
Source: check_circle
Crossref

Tackling Halogenated Species with PBSA: Effect of Emulating the σ-Hole

Journal of Chemical Theory and Computation
2019-07-09 | Journal article
DOI: 10.1021/acs.jctc.9b00106
Contributors: Rafael Nunes; Diogo Vila-Viçosa; Paulo J. Costa
Source: check_circle
Crossref
grade
Preferred source (of 2)‎

Sugar-based bactericides targeting phosphatidylethanolamine-enriched membranes

Nature Communications
2018-11-19 | Journal article
DOI: 10.1038/s41467-018-06488-4
Contributors: Catarina Dias; João P. Pais; Rafael Nunes; Maria-Teresa Blázquez-Sánchez; Joaquim T. Marquês; Andreia F. Almeida; Patrícia Serra; Nuno M. Xavier; Diogo Vila-Viçosa; Miguel Machuqueiro et al.
Source: check_circle
Crossref

Advances in the Computational Modeling of Halogen Bonds in Biochemical Systems

Frontiers in Computational Chemistry: Volume 4
2018-10 | Book chapter
DOI: 10.2174/97816810844111180401
DOI: 10.2174/9781681084411118040006
Part of ISSN: 2352-9458
Source: Self-asserted source
Rafael Nunes

Biomolecular Simulations of Halogen Bonds with a GROMOS Force Field

Journal of Chemical Theory and Computation
2018-10-09 | Journal article
DOI: 10.1021/acs.jctc.8b00278
Contributors: Rafael Nunes; Diogo Vila-Viçosa; Miguel Machuqueiro; Paulo J. Costa
Source: check_circle
Crossref

Recent Advances in the Synthesis of N-Glycosyl Compounds

Advances in Organic Synthesis: Volume 10
2018-09 | Book chapter
DOI: 10.2174/97816810874361181001
DOI: 10.2174/9781681087436118100005
Part of ISSN: 1574-0870
Source: Self-asserted source
Rafael Nunes

<span>T4 Lysozyme/Halobenzene: A Test System for Modeling Biomolecular Halogen Bonds</span>

Proceedings of MOL2NET 2017, International Conference on Multidisciplinary Sciences, Edition
2017 | Conference paper
DOI: 10.3390/MOL2NET-03-05075
Source: check_circle
Web of Science Researcher Profile Sync
grade
Preferred source (of 3)‎

Ion-pair halogen bonds in 2-halo-functionalized imidazolium chloride receptors: Substituent and solvent effects

Chemistry - An Asian Journal
2017 | Journal article
DOI: 10.1002/asia.201601690
EID:

2-s2.0-85012146169
Contributors: Nunes, R.; Costa, P.J.
Source: Self-asserted source
Rafael Nunes via Scopus - Elsevier
grade
Preferred source (of 2)‎

3.1. 17. Cyclic acetals for regioselective protection in carbohydrate synthesis: A comparative experiment

Comprehensive Organic Chemistry Experiments for the Laboratory Classroom
2016-12-16 | Book chapter
SOURCE-WORK-ID:

cv-prod-id-1393105

Part of ISBN: 978-1-84973-963-4
Source: Self-asserted source
Rafael Nunes

Wittig Reaction: Domino Olefination and Stereoselectivity DFT Study. Synthesis of the Miharamycins' Bicyclic Sugar Moiety

Organic Letters
2015 | Journal article
DOI: 10.1021/acs.orglett.5b02849
EID:

2-s2.0-84947996973
Contributors: Cachatra, V.; Almeida, A.; Sardinha, J.; Lucas, S.D.; Gomes, A.; Vaz, P.D.; Florêncio, M.H.; Nunes, R.; Vila-Viçosa, D.; Calhorda, M.J. et al.
Source: Self-asserted source
Rafael Nunes via Scopus - Elsevier

Synthesis of new antibiotic glycosides and computational studies on their interaction with model lipid bilayers

Universidade de Lisboa Faculdade de Ciências
2015-10 | Dissertation or Thesis
SOURCE-WORK-ID:

cv-prod-id-1393079

OTHER-ID:

201373920

HANDLE: http://hdl.handle.net/10451/20827
Contributors: Nunes, Rafael de Santana
Source: check_circle
CIÊNCIAVITAE

Synthesis and evaluation of N-acylamino acids derivatives of triazenes. Activation by tyrosinase in human melanoma cell lines

European Journal of Medicinal Chemistry
2013 | Journal article
DOI: 10.1016/j.ejmech.2013.09.040
EID:

2-s2.0-84885368654
Contributors: Monteiro, A.S.; Almeida, J.; Cabral, G.; Severino, P.; Videira, P.A.; Sousa, A.; Nunes, R.; Pereira, J.D.; Francisco, A.P.; Perry, M.J. et al.
Source: Self-asserted source
Rafael Nunes via Scopus - Elsevier

Peer review (6 reviews for 5 publications/grants)

Review activity for Computational biology and chemistry (2)
Review activity for Journal of cheminformatics. (1)
Review activity for Materials. (1)
Review activity for Molecules. (1)
Review activity for Pathogens. (1)
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