Marco Neves
Marco Neves
Computational Chemist, BIAL - Portela & C., S.A.
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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 (6), 675-686, 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
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
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
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
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
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
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
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
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
Combining computational and biochemical studies for a rationale on the anti‐aromatase activity of natural polyphenols
MAC Neves, TCP Dinis, G Colombo, ML S e Melo
ChemMedChem: Chemistry Enabling Drug Discovery 2 (12), 1750-1762, 2007
Ligand-guided optimization of CXCR4 homology models for virtual screening using a multiple chemotype approach
MAC Neves, S Simes, MLS e Melo
Journal of computer-aided molecular design 24 (12), 1023-1033, 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
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
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
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
Comparison of the sizes of the potential therapeutic bone agents, the polyphosphonate PEI-MP labeled with 117mSn and 186Re
MF Botelho, JR Zeevaart, DR Jansen, A Turtoi, AM Abrantes, ZI Kolar, ...
European journal of nuclear medicine and molecular imaging 34, S335-S335, 2007
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
Dosimetric evaluation of the polyphosphonate; PEI-MP labeled with 117mSn, 186Re and 99mTc as potential diagnosis/therapeutic bone agents
MF Botelho, JR Zeevaart, IC Dormehl, WKA Louw, F Caramelo, ...
European journal of nuclear medicine and molecular imaging 33, S309-S309, 2006
Prediction of 99mtc-biguanide complex structures and their interactions with biological molecules by molecular mechanics calculations
M Neves, R Fausto
Nuclear medicine and biology 26 (1), 85-89, 1999
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