Constant-pH molecular dynamics study of kyotorphin in an explicit bilayer PR Magalhaes, M Machuqueiro, AM Baptista Biophysical journal 108 (9), 2282-2290, 2015 | 20 | 2015 |
Effect of a pH Gradient on the Protonation States of Cytochrome c Oxidase: A Continuum Electrostatics Study PR Magalhães, ASF Oliveira, SRR Campos, CM Soares, AM Baptista Journal of chemical information and modeling 57 (2), 256-266, 2017 | 10 | 2017 |
The anti-inflammatory action of the analgesic kyotorphin neuropeptide derivatives: insights of a lipid-mediated mechanism K Conceição, PR Magalhães, SRR Campos, MM Domingues, VG Ramu, ... Amino acids 48, 307-318, 2016 | 9 | 2016 |
Optimization of an in Silico Protocol Using Probe Permeabilities to Identify Membrane Pan-Assay Interference Compounds PR Magalhães, PBPS Reis, D Vila-Viçosa, M Machuqueiro, BL Victor Journal of Chemical Information and Modeling 62 (12), 3034-3042, 2022 | 8 | 2022 |
Identification of Pan-Assay INterference compoundS (PAINS) Using an MD-Based Protocol PR Magalhães, PBPS Reis, D Vila-Viçosa, M Machuqueiro, BL Victor Computational Design of Membrane Proteins, 263-271, 2021 | 8 | 2021 |
New (Iso) quinolinyl-pyridine-2, 6-dicarboxamide G-Quadruplex Stabilizers. A Structure-Activity Relationship Study E Cadoni, PR Magalhães, RM Emídio, E Mendes, J Vítor, J Carvalho, ... Pharmaceuticals 14 (7), 669, 2021 | 7 | 2021 |
Dynamical rearrangement of human epidermal growth factor receptor 2 upon antibody binding: effects on the dimerization P R Magalhães, M Machuqueiro, J G Almeida, A Melo, MN DS Cordeiro, ... Biomolecules 9 (11), 706, 2019 | 5 | 2019 |
Arrestin and G Protein Interactions with GPCRs: a Structural Perspective CAV Barreto, SJ Baptista, B Bueschbell, PR Magalhães, AJ Preto, ... GPCRs as Therapeutic Targets 1, 109-179, 2022 | 3 | 2022 |
The World of GPCR dimers–Mapping dopamine receptor D2 homodimers in different activation states and configuration arrangements B Bueschbell, PR Magalhães, CAV Barreto, R Melo, AC Schiedel, ... Computational and Structural Biotechnology Journal 21, 4336-4353, 2023 | | 2023 |
Biochemical studies on the effect of non-enzymatic succinylation of electron transfer flavoprotein JV Ribeiro, PR Magalhaes, JF Ferreira, H Faustino, PMP Gois, ... FEBS OPEN BIO 12, 290-291, 2022 | | 2022 |
Optimization of an in silico protocol to characterize membrane PAINS PR Magalhães, PBPS Reis, D Vila-Viçosa, M Machuqueiro, BL Victor | | 2021 |
Evaluation of different computational approaches to measure water permeabilities in Aquaporins PR Magalhaes, D Vila-Vicosa, MM Machuqueiro, BL Victor EUROPEAN BIOPHYSICS JOURNAL WITH BIOPHYSICS LETTERS 48, S200-S200, 2019 | | 2019 |
Computational characterization of membrane PAINS PR Magalhaes, P Reis, D Vila-Vicosa, M Machuqueiro, BL Victor EUROPEAN BIOPHYSICS JOURNAL WITH BIOPHYSICS LETTERS 48, S201-S201, 2019 | | 2019 |
pH effects on PG/PC and PS/PC lipid binary mixtures PR Magalhães, D Vila-Viçosa, T Silva, M Machuqueiro Proceedings of MOL2NET 2018, International Conference on Multidisciplinary …, 2018 | | 2018 |
Inclusion of protonation effects in the simulation of proteins in membrane environments PR Magalhães | | 2017 |
Including acid-base equilibrium in computer simulations using constant-pH molecular dynamics S Campos, P Magalhaes, C Carvalheda, L Filipe, M Machuqueiro, ... ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 250, 2015 | | 2015 |
Constant-pH molecular dynamics simulations of membrane systems: Titrable lipids and proton pumps S Campos, A Sofia Oliveira, P Magalhaes, D Vila-Vicosa, V Teixeira, ... ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 250, 2015 | | 2015 |
Computational study of the conformational preferences of kyotorphin derivatives SRR Campos, PR Magalhaes, AM Baptista EUROPEAN BIOPHYSICS JOURNAL WITH BIOPHYSICS LETTERS 42, S89-S89, 2013 | | 2013 |
Probing energy transduction mechanisms in bacteriorhodopsin using electrostatic calculations PR Magalhaes, SRR Campos, ASF Oliveira, CM Soares, AM Baptista EUROPEAN BIOPHYSICS JOURNAL WITH BIOPHYSICS LETTERS 42, S92-S92, 2013 | | 2013 |
Interaction between the neuropeptide kyotorphin and a lipid bilayer: a constant-ph molecular dynamics study PRSÁ Magalhães | | 2009 |