| Docking and scoring with ICM: the benchmarking results and strategies for improvement MAC Neves, M Totrov, R Abagyan Journal of computer-aided molecular design 26, 675-686, 2012 | 358 | 2012 |
| Anticancer steroids: linking natural and semi-synthetic compounds JAR Salvador, JFS Carvalho, MAC Neves, SM Silvestre, AJ Leitao, ... Natural product reports 30 (2), 324-374, 2013 | 291 | 2013 |
| Rational design of berberine-based FtsZ inhibitors with broad-spectrum antibacterial activity N Sun, FY Chan, YJ Lu, MAC Neves, HK Lui, Y Wang, KY Chow, KF Chan, ... PloS one 9 (5), e97514, 2014 | 116 | 2014 |
| Dynamics-based discovery of allosteric inhibitors: selection of new ligands for the C-terminal domain of Hsp90 G Morra, MAC Neves, CJ Plescia, S Tsustsumi, L Neckers, G Verkhivker, ... Journal of chemical theory and computation 6 (9), 2978-2989, 2010 | 92 | 2010 |
| Non-peptidic thrombospondin-1 mimics as fibroblast growth factor-2 inhibitors: an integrated strategy for the development of new antiangiogenic compounds G Colombo, B Margosio, L Ragona, M Neves, S Bonifacio, DS Annis, ... Journal of biological chemistry 285 (12), 8733-8742, 2010 | 88 | 2010 |
| Identification of a New Class of FtsZ Inhibitors by Structure-Based Design and in Vitro Screening FY Chan, N Sun, MAC Neves, PCH Lam, WH Chung, LK Wong, HY Chow, ... Journal of chemical information and modeling 53 (8), 2131-2140, 2013 | 83 | 2013 |
| Unusual arginine formations in protein function and assembly: rings, strings, and stacks MAC Neves, M Yeager, R Abagyan The journal of physical chemistry B 116 (23), 7006-7013, 2012 | 77 | 2012 |
| Fast three dimensional pharmacophore virtual screening of new potent non-steroid aromatase inhibitors MAC Neves, TCP Dinis, G Colombo, ML Sa e Melo Journal of Medicinal Chemistry 52 (1), 143-150, 2009 | 65 | 2009 |
| Molecular recognition and drug-lead identification: what can molecular simulations tell us? G Morra, A Genoni, MAC Neves, KM Merz Jr, G Colombo Current medicinal chemistry 17 (1), 25-41, 2010 | 49 | 2010 |
| An efficient steroid pharmacophore-based strategy to identify new aromatase inhibitors MAC Neves, TCP Dinis, G Colombo, MLS e Melo European journal of medicinal chemistry 44 (10), 4121-4127, 2009 | 47 | 2009 |
| Combining computational and biochemical studies for a rationale on the anti‐aromatase activity of natural polyphenols MAC Neves, TCP Dinis, G Colombo, ML Sá e Melo ChemMedChem: Chemistry Enabling Drug Discovery 2 (12), 1750-1762, 2007 | 44 | 2007 |
| Ligand-guided optimization of CXCR4 homology models for virtual screening using a multiple chemotype approach MAC Neves, S Simões, ML Sá e Melo Journal of computer-aided molecular design 24, 1023-1033, 2010 | 43 | 2010 |
| Study of nuclear medicine practices in Portugal from an internal dosimetry perspective J Bento, P Teles, M Neves, AI Santos, G Cardoso, A Barreto, F Alves, ... Radiation Protection Dosimetry 149 (4), 438-443, 2012 | 20 | 2012 |
| Characterization of the interaction of the novel antihypertensive etamicastat with human dopamine-β-hydroxylase: comparison with nepicastat MJ Bonifácio, F Sousa, M Neves, N Palma, B Igreja, NM Pires, LC Wright, ... European Journal of Pharmacology 751, 50-58, 2015 | 17 | 2015 |
| A new microtubule-stabilizing agent shows potent antiviral effects against African swine fever virus with no cytotoxicity S Sirakanyan, E Arabyan, A Hakobyan, T Hakobyan, G Chilingaryan, ... Emerging Microbes & Infections 10 (1), 783-796, 2021 | 16 | 2021 |
| Biochemical and computational insights into the anti-aromatase activity of natural catechol estrogens MAC Neves, TCP Dinis, G Colombo, MLS e Melo The Journal of Steroid Biochemistry and Molecular Biology 110 (1-2), 10-17, 2008 | 9 | 2008 |
| Synthesis, characterization, and biodistribution of oxo complexes of Technetium-99m with biguanide and N1-substituted ligands M Neves, L Gano, MJ Ribeiro, AC Santos, A Marchi, C Sawas-Dimopolou, ... Nuclear medicine and biology 26 (1), 79-83, 1999 | 9 | 1999 |
| Validation of the AmpC β-lactamase binding site and identification of inhibitors with novel scaffolds FY Chan, MAC Neves, N Sun, MW Tsang, YC Leung, TH Chan, ... Journal of chemical information and modeling 52 (5), 1367-1375, 2012 | 6 | 2012 |
| Evaluation in the baboon model of 99mTc-biguanide as a tracer for renal imaging M Neves, I Dormehl, E Kilian, W Louw, K Lalaoui, JJP de Lima Nuclear medicine and biology 27 (6), 593-597, 2000 | 5 | 2000 |
| Antifragile tactics for translators—a primer M NEVES transLogos Translation Studies Journal 2 (2), 27-47, 2019 | 4 | 2019 |
