Miguel X. Fernandes
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Escherichia coli cell surface perturbation and disruption induced by antimicrobial peptides BP100 and pepR
CS Alves, MN Melo, HG Franquelim, R Ferre, M Planas, L Feliu, E Bardají, ...
Journal of Biological Chemistry 285 (36), 27536-27544, 2010
HIV-1 protease inhibitors from inverse design in the substrate envelope exhibit subnanomolar binding to drug-resistant variants
MD Altman, A Ali, GSK Kumar Reddy, MNL Nalam, SG Anjum, H Cao, ...
Journal of the American Chemical Society 130 (19), 6099-6113, 2008
Dual inhibitors of P-glycoprotein and tumor cell growth:(re) discovering thioxanthones
A Palmeira, MH Vasconcelos, A Paiva, MX Fernandes, M Pinto, E Sousa
Biochemical pharmacology, 2012
Brownian dynamics simulation of rigid particles of arbitrary shape in external fields
MX Fernandes, JG de la Torre
Biophysical journal 83 (6), 3039-3048, 2002
Screening drug-like compounds by docking to homology models: a systematic study
V Kairys, MX Fernandes, MK Gilson
Journal of chemical information and modeling 46 (1), 365-379, 2006
Calculation of hydrodynamic properties of small nucleic acids from their atomic structure
MX Fernandes, A Ortega, MC Lopez Martinez, J García De La Torre
Nucleic acids research 30 (8), 1782-1788, 2002
Lipid membrane-induced optimization for ligand–receptor docking: recent tools and insights for the “membrane catalysis” model
MARB Castanho, MX Fernandes
European Biophysics Journal 35 (2), 92-103, 2006
New uses for old drugs: pharmacophore‐based screening for the discovery of P‐glycoprotein inhibitors
A Palmeira, F Rodrigues, E Sousa, M Pinto, MH Vasconcelos, ...
Chemical biology & drug design 78 (1), 57-72, 2011
Design of mutation‐resistant HIV protease inhibitors with the substrate envelope hypothesis
S Chellappan, GS Kiran Kumar Reddy, A Ali, MNL Nalam, SG Anjum, ...
Chemical Biology & Drug Design 69 (5), 298-313, 2007
Evaluation of the substrate envelope hypothesis for inhibitors of HIV‐1 protease
S Chellappan, V Kairys, MX Fernandes, C Schiffer, MK Gilson
Proteins: structure, function, and bioinformatics 68 (2), 561-567, 2007
Discovery of a new small-molecule inhibitor of p53–MDM2 interaction using a yeast-based approach
M Leao, C Pereira, A Bisio, Y Ciribilli, AM Paiva, N Machado, A Palmeira, ...
Biochemical Pharmacology 85 (9), 1234-1245, 2013
An analytical solution to the problem of the orientation of rigid particles by planar obstacles. Application to membrane systems and to the calculation of dipolar couplings in …
MX Fernandes, P Bernado, M Pons, J García de la Torre
Journal of the American Chemical Society 123 (48), 12037-12047, 2001
Enantioseparation and chiral recognition mechanism of new chiral derivatives of xanthones on macrocyclic antibiotic stationary phases
C Fernandes, ME Tiritan, Q Cass, V Kairys, MX Fernandes, M Pinto
Journal of Chromatography A 1241, 60-68, 2012
Insights into the In Vitro Antitumor Mechanism of Action of a New Pyranoxanthone
A Palmeira, A Paiva, E Sousa, H Seca, GM Almeida, RT Lima, ...
Chemical biology & drug design 76 (1), 43-58, 2010
Joint determination by Brownian dynamics and fluorescence quenching of the in-depth location profile of biomolecules in membranes
MX Fernandes, JG de la Torre, M Castanho
Analytical biochemistry 307 (1), 1-12, 2002
Structure and ligand-based design of P-glycoprotein inhibitors: a historical perspective
A Palmeira, E Sousa, M Helena Vasconcelos, M Pinto, M X Fernandes
Current pharmaceutical design 18 (27), 4197-4214, 2012
Simuflex: algorithms and tools for simulation of the conformation and dynamics of flexible molecules and nanoparticles in dilute solution
JG de la Torre, JG Hernandez Cifre, A Ortega, RR Schmidt, ...
Journal of chemical theory and computation 5 (10), 2606-2618, 2009
Calculation of the solution properties of flexible macromolecules: methods and applications
J Garcia de la Torre, HE Pérez Sánchez, A Ortega, JG Hernandez, ...
European Biophysics Journal 32 (5), 477-486, 2003
Using UV‐Vis. linear dichroism to study the orientation of molecular probes and biomolecules in lipidic membranes
M Castanho, S Lopes, M Fernandes
Spectroscopy 17 (2-3), 377-398, 2003
Interpretation of NMR relaxation properties of Pin1, a two-domain protein, based on Brownian dynamic simulations
P Bernadó, MX Fernandes, DM Jacobs, K Fiebig, J García de la Torre, ...
Journal of biomolecular NMR 29 (1), 21-35, 2004
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