| human | Q5 |
| P2456 | DBLP author ID | 18/6654 |
| P496 | ORCID iD | 0000-0003-1154-556X |
| P3829 | Publons author ID | 2732173 |
| P1053 | ResearcherID | E-2675-2012 |
| P1153 | Scopus author ID | 34973451500 |
| P69 | educated at | Uppsala University | Q185246 |
| University of Lisbon | Q1122926 | ||
| Faculdade de Ciências da Universidade de Lisboa | Q20055490 | ||
| P108 | employer | Uppsala University | Q185246 |
| ITQB NOVA | Q10302945 | ||
| Faculdade de Ciências da Universidade de Lisboa | Q20055490 | ||
| P734 | family name | Soares | Q20823845 |
| Soares | Q20823845 | ||
| Soares | Q20823845 | ||
| P106 | occupation | researcher | Q1650915 |
| P21 | sex or gender | male | Q6581097 |
| Q93221725 | A LysM Domain Intervenes in Sequential Protein-Protein and Protein-Peptidoglycan Interactions Important for Spore Coat Assembly in Bacillus subtilis |
| Q47979626 | A molecular perspective on nonaqueous biocatalysis: contributions from simulation studies |
| Q59592108 | A robust metallo-oxidase from the hyperthermophilic bacterium Aquifex aeolicus |
| Q27732564 | Ab initio determination of the crystal structure of cytochrome c6 and comparison with plastocyanin |
| Q60300377 | An electrogenic redox loop in sulfate reduction reveals a likely widespread mechanism of energy conservation |
| Q60668711 | An iterative structure-assisted approach to sequence alignment and comparative modeling |
| Q52620513 | Analyzing the molecular basis of enzyme stability in ethanol/water mixtures using molecular dynamics simulations. |
| Q35792824 | Characterization of the periplasmic redox network that sustains the versatile anaerobic metabolism of Shewanella oneidensis MR-1 |
| Q46957359 | Conformational and orientational guidance of the analgesic dipeptide kyotorphin induced by lipidic membranes: putative correlation toward receptor docking |
| Q83846383 | Conformational changes induced by ATP-hydrolysis in an ABC transporter: a molecular dynamics study of the Sav1866 exporter |
| Q27634789 | Conformational component in the coupled transfer of multiple electrons and protons in a monomeric tetraheme cytochrome |
| Q39873668 | Coupling between protonation and conformation in cytochrome c oxidase: Insights from constant-pH MD simulations. |
| Q46698126 | Cytochrome c oxidase as a calcium binding protein. Studies on the role of a conserved aspartate in helices XI-XII cytoplasmic loop in cation binding. |
| Q85211241 | Design of a peptidic turn with high affinity for Hg(II) |
| Q51741356 | Dioxygen and nitric oxide pathways and affinity to the catalytic site of rubredoxin:oxygen oxidoreductase from Desulfovibrio gigas. |
| Q48344756 | Effect of a pH Gradient on the Protonation States of Cytochrome c Oxidase: A Continuum Electrostatics Study. |
| Q61978854 | Effects of protein-protein interactions on electron transfer: docking and electron transfer calculations for complexes between flavodoxin and c-type cytochromes |
| Q40335289 | Electric-field-induced redox potential shifts of tetraheme cytochromes c3 immobilized on self-assembled monolayers: surface-enhanced resonance Raman spectroscopy and simulation studies |
| Q28542472 | Exploring O2 diffusion in A-type cytochrome c oxidases: molecular dynamics simulations uncover two alternative channels towards the binuclear site |
| Q33814289 | Exploring the molecular mechanisms of electron shuttling across the microbe/metal space |
| Q91821900 | F508del disturbs the dynamics of the nucleotide binding domains of CFTR before and after ATP hydrolysis |
| Q42941500 | Functional domains of the Bacillus subtilis transcription factor AraR and identification of amino acids important for nucleoprotein complex assembly and effector binding. |
| Q39996346 | Functional role of N-glycosylation from ADAM10 in processing, localization and activity of the enzyme. |
| Q37006176 | Fusing simulation and experiment: The effect of mutations on the structure and activity of the influenza fusion peptide |
| Q47721144 | Hydrogenases in Desulfovibrio vulgaris Hildenborough: structural and physiologic characterisation of the membrane-bound [NiFeSe] hydrogenase. |
| Q40675058 | Implicit solvation in the self-consistent mean field theory method: sidechain modelling and prediction of folding free energies of protein mutants. |
| Q63191335 | Improved modeling of side-chains in proteins with rotamer-based methods: A flexible rotamer model |
| Q30427940 | Influence of the protein structure surrounding the active site on the catalytic activity of [NiFeSe] hydrogenases |
| Q84007799 | Insights into the molecular mechanism of an ABC transporter: conformational changes in the NBD dimer of MJ0796 |
| Q41590266 | Insights into the structure of the diiron site of RIC from Escherichia coli. |
| Q27333190 | Inter-domain communication mechanisms in an ABC importer: a molecular dynamics study of the MalFGK2E complex |
| Q53099042 | Interaction of counterions with subtilisin in acetonitrile: insights from molecular dynamics simulations. |
| Q44703625 | Investigation of protonatable residues in Rhodothermus marinus caa3 haem-copper oxygen reductase: comparison with Paracoccus denitrificans aa3 haem-copper oxygen reductase |
| Q61978853 | Ionic strength dependence of the non-physiological electron transfer between flavodoxin and cytochrome c 553 from D. vulgaris |
| Q27664296 | Mechanisms underlying dioxygen reduction in laccases. Structural and modelling studies focusing on proton transfer |
| Q42938383 | Membrane-induced conformational changes of kyotorphin revealed by molecular dynamics simulations |
| Q59600328 | Mind the gap: cytochrome interactions reveal electron pathways across the periplasm ofShewanella oneidensisMR-1 |
| Q40280520 | Modeling electron transfer thermodynamics in protein complexes: interaction between two cytochromes c(3). |
| Q80124103 | Modeling hydration mechanisms of enzymes in nonpolar and polar organic solvents |
| Q43909430 | Molecular and biochemical characterization of a highly stable bacterial laccase that occurs as a structural component of the Bacillus subtilis endospore coat. |
| Q27642891 | Molecular basis for redox-Bohr and cooperative effects in cytochrome c3 from Desulfovibrio desulfuricans ATCC 27774: crystallographic and modeling studies of oxidized and reduced high-resolution structures at pH 7.6 |
| Q30363612 | Molecular determinants for FMN-binding in Desulfovibrio gigas flavoredoxin. |
| Q57127563 | Molecular modeling of hair keratin/peptide complex: Using MM-PBSA calculations to describe experimental binding results |
| Q47200553 | Molecular structure of FoxE, the putative iron oxidase of Rhodobacter ferrooxidans SW2. |
| Q58896469 | Natural Domain Design: Enhanced Thermal Stability of a Zinc-Lacking Ferredoxin Isoform Shows that a Hydrophobic Core Efficiently Replaces the Structural Metal Site† |
| Q62029916 | Nine-haem cytochrome c from Desulfovibrio desulfuricans ATCC 27774 : primary sequence determination, crystallographic refinement at 1.8 and modelling studies of its interaction with the tetrahaem cytochrome c 3 |
| Q57133546 | On the use of different dielectric constants for computing individual and pairwise terms in poisson-boltzmann studies of protein ionization equilibrium |
| Q79946420 | Parametrization of 1-butyl-3-methylimidazolium hexafluorophosphate/nitrate ionic liquid for the GROMOS force field |
| Q43053455 | Pathways of H2 toward the active site of [NiFe]-hydrogenase |
| Q40304542 | Predicting the Thermodynamics and Kinetics of Helix Formation in a Cyclic Peptide Model. |
| Q42150731 | Probing key DNA contacts in AraR-mediated transcriptional repression of the Bacillus subtilis arabinose regulon |
| Q30367685 | Protein structure and dynamics in ionic liquids. Insights from molecular dynamics simulation studies. |
| Q81230775 | Proton pathways in a [NiFe]-hydrogenase: A theoretical study |
| Q27649958 | Proximal mutations at the type 1 copper site of CotA laccase: spectroscopic, redox, kinetic and structural characterization of I494A and L386A mutants |
| Q27685449 | Putative dioxygen-binding sites and recognition of tigecycline and minocycline in the tetracycline-degrading monooxygenase TetX |
| Q27641263 | Redox-Bohr and other cooperativity effects in the nine-heme cytochrome C from Desulfovibrio desulfuricans ATCC 27774: crystallographic and modeling studies |
| Q51741828 | Regulation of the mechanism of Type-II NADH: Quinone oxidoreductase from S. aureus. |
| Q43203284 | Reorganization and conformational changes in the reduction of tetraheme cytochromes |
| Q34350932 | Role of the anti-sigma factor SpoIIAB in regulation of sigmaG during Bacillus subtilis sporulation |
| Q42151539 | Self-assembly molecular dynamics simulations shed light into the interaction of the influenza fusion Peptide with a membrane bilayer. |
| Q40143952 | Simulation of electron-proton coupling with a Monte Carlo method: application to cytochrome c3 using continuum electrostatics. |
| Q37948589 | Simulation of multihaem cytochromes |
| Q44516100 | Specific amino acids of Olive mild mosaic virus coat protein are involved in transmission by Olpidium brassicae. |
| Q27660380 | Structural Analysis of Thermus thermophilus HB27 Mannosyl-3-phosphoglycerate Synthase Provides Evidence for a Second Catalytic Metal Ion and New Insight into the Retaining Mechanism of Glycosyltransferases |
| Q27702039 | Structural and Functional Characterization of an Ancient Bacterial Transglutaminase Sheds Light on the Minimal Requirements for Protein Cross-Linking |
| Q42322822 | Structural and Functional insights into the catalytic mechanism of the Type II NADH:quinone oxidoreductase family |
| Q30503207 | Structural consequences of ATP hydrolysis on the ABC transporter NBD dimer: molecular dynamics studies of HlyB. |
| Q45354136 | Structural determinants for the membrane insertion of the transmembrane peptide of hemagglutinin from influenza virus |
| Q42649853 | Structural determinants of ligand imprinting: a molecular dynamics simulation study of subtilisin in aqueous and apolar solvents |
| Q83352758 | Structural features of [NiFeSe] and [NiFe] hydrogenases determining their different properties: a computational approach |
| Q27728397 | Structure of Escherichia coli Flavodiiron Nitric Oxide Reductase |
| Q43894070 | Studies of the reduction and protonation behavior of tetraheme cytochromes using atomic detail |
| Q57148688 | Study of the interactions of bovine serum albumin with a molybdenum(II) carbonyl complex by spectroscopic and molecular simulation methods |
| Q36159667 | Sulphate respiration from hydrogen in Desulfovibrio bacteria: a structural biology overview |
| Q51064371 | Tailoring cutinase activity towards polyethylene terephthalate and polyamide 6,6 fibers. |
| Q86749469 | The Pathway for O2 Diffusion inside CotA Laccase and Possible Implications on the Multicopper Oxidases Family |
| Q57909957 | The Role of Lys147 in the Interaction between MPSA-Gold Nanoparticles and the α-Hemolysin Nanopore |
| Q59312691 | The caa3 terminal oxidase of the thermohalophilic bacterium Rhodothermus marinus: a HiPIP:oxygen oxidoreductase lacking the key glutamate of the D-channel |
| Q27689137 | The importance of the Abn2 calcium cluster in the endo-1,5-arabinanase activity from Bacillus subtilis |
| Q47804150 | The key role of glutamate 172 in the mechanism of type II NADH:quinone oxidoreductase of Staphylococcus aureus. |
| Q46943391 | The lactate dehydrogenases encoded by the ldh and ldhB genes in Lactococcus lactis exhibit distinct regulation and catalytic properties - comparative modeling to probe the molecular basis |
| Q54383326 | The multicopper oxidase from the archaeon Pyrobaculum aerophilum shows nitrous oxide reductase activity. |
| Q113695141 | The nsp15 Nuclease as a Good Target to Combat SARS-CoV-2: Mechanism of Action and Its Inactivation with FDA-Approved Drugs |
| Q47443832 | The rice cold-responsive calcium-dependent protein kinase OsCPK17 is regulated by alternative splicing and post-translational modifications |
| Q27676920 | The role of Asp116 in the reductive cleavage of dioxygen to water in CotA laccase: assistance during the proton-transfer mechanism |
| Q45212040 | The tetraheme cytochrome from Shewanella oneidensis MR-1 shows thermodynamic bias for functional specificity of the hemes |
| Q40309424 | Theoretical identification of proton channels in the quinol oxidase aa3 from Acidianus ambivalens |
| Q41764552 | Water dependent properties of cutinase in nonaqueous solvents: a computational study of enantioselectivity |
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