المؤلفون: Oliveira, Alexandre C., Filipe, Hugo A. L., Geraldes, Carlos F.G.C., Voth, Gregory A., Moreno, Maria João, Loura, Luís M. S.

المساهمون: Programa Operacional Regional do Centro, Funda??o para a Ci?ncia e a Tecnologia

المصدر: Inorganic Chemistry ; volume 63, issue 24, page 10897-10914 ; ISSN 0020-1669 1520-510X

الاتاحة: http://dx.doi.org/10.1021/acs.inorgchem.4c00972
https://pubs.acs.org/doi/pdf/10.1021/acs.inorgchem.4c00972

المؤلفون: Moreno, Maria João, Filipe, Hugo A. L., Cunha, Susana V. P., Ramos, Cristiana V., Martins, Patricia A. T., Abel, Biebele, Loura, Luís M. S., Ambudkar, Suresh V

مصطلحات موضوعية: efflux transporters, MDR1, ABCB1, pharmacokinetics, MD simulations, partition coefficient, binding affinity, amphiphilic moment

Relation: #PLACEHOLDER_PARENT_METADATA_VALUE#; This research was funded by the Portuguese “Fundação para a Ciência e a Tecnologia” (FCT), grant number UIDB/00313/2020, co-funded by COMPETE2020-UE, grant PT2020_PTDC_DTPFTO_ 2784_2014, and by Programa Operacional Regional do Centro” CENTRO2020, grant CENTRO- 01-0145-FEDER-000014. H.A.L.F. was funded by Programa Operacional Regional do Centro (CENTRO- 04-3559-FSE-000162) within the European Social Fund (ESF). B.A. and S.V.A. were funded by the Intramural Program of the National Institutes of Health, National Cancer Institute, Center for Cancer Research, grant BC 010030 (Biochemical analysis of multidrug resistance-linked transport proteins); https://hdl.handle.net/10316/114789

الاتاحة: https://hdl.handle.net/10316/114789
https://doi.org/10.3390/pharmaceutics15010174

المؤلفون: Oliveira, Alexandre C., Filipe, Hugo A. L., Loura, Luís M. S.

مصطلحات موضوعية: fluorescence spectroscopy, lipid membranes, membrane probe, molecular dynamics simulations, Molecular Dynamics Simulation, Phosphatidylcholines, Lipid Bilayers, Fluorescent Dyes

Relation: #PLACEHOLDER_PARENT_METADATA_VALUE#; This research was funded by the European Regional Development Fund, through COMPETE2020-Operational Program for Competitiveness and Internationalization, and Portuguese funds via FCT-Fundação para a Ciência e a Tecnologia, under projects UIDB/00313/2020 and UIDP/00313/2020 (Portugal). H.A.L.F. was funded by Programa Operacional Regional do Centro (CENTRO-04-3559-FSE-000162) within the European Social Fund (ESF). A.C.O. acknowledges FCT for the PhD grant SFRH/BD/120934/2016, funded through MCTES and also co-funded by EU through ESF, “Programa Operacional Regional Centro”.; https://hdl.handle.net/10316/113861

الاتاحة: https://hdl.handle.net/10316/113861
https://doi.org/10.3390/molecules28052241

المؤلفون: Morán Lalangui, Juranny Michelle, Coutinho, Ana, Prieto, Manuel, Fedorov, Alexander, Pérez Gil, Jesús, Loura, Luís M. S., García Álvarez, María Begoña

مصطلحات موضوعية: 577.112, 577.2, FRET, Oligomerization state, Protein–protein interaction, Pulmonary surfactant, Self-quenching, Surfactant protein C (SP-C), Bioquímica (Química), Biología molecular (Biología), 2302 Bioquímica, 2415 Biología Molecular

وصف الملف: application/pdf

Relation: info:eu-repo/grantAgreement/MICINN//PID2021-124932OB-100; P2018/NMT-4389; info:eu-repo/grantAgreement/FCT//UIDB/00313%2F2020; info:eu-repo/grantAgreement/FCT//UIDB/04565%2F2020; info:eu-repo/grantAgreement/FCT//UIDP/00313%2F2020; info:eu-repo/grantAgreement/FCT//UIDP/04565%2F2020; info:eu-repo/grantAgreement/LA//P/0140%2F2020; Morán-Lalangui M, Coutinho A, Prieto M, Fedorov A, Pérez-Gil J, Loura LMS, et al. Exploring protein–protein interactions and oligomerization state of pulmonary surfactant protein C (SP-C) through FRET and fluorescence self-quenching. Protein Science. 2024; 33(1):e4835.; https://hdl.handle.net/20.500.14352/105402

الاتاحة: https://hdl.handle.net/20.500.14352/105402
https://doi.org/10.1002/pro.4835

المؤلفون: Cordeiro, Margarida M., Filipe, Hugo A. L., Santos, Patrícia dos, Samelo, Jaime Amadeu Cruz Reis, Ramalho, João P Prates, Loura, Luís M. S., Moreno, Maria João

مصطلحات موضوعية: biomembranes, cationic amphiphiles, fluorescent probe, membrane partition, molecular dynamics simulations, POPC, Molecular Dynamics Simulation, Thermodynamics, Hydrogen-Ion Concentration, Lipid Bilayers, Phosphatidylcholines

Relation: #PLACEHOLDER_PARENT_METADATA_VALUE#; FCT fellowship 2022.11593.BD; UIDB/00313/2020; UIDP/00313/2020; UIDB/50006/2020; UIDP/50006/2020; CENTRO-04-3559-FSE-000162; https://hdl.handle.net/10316/112078

الاتاحة: https://hdl.handle.net/10316/112078
https://doi.org/10.3390/molecules28155640

المؤلفون: Filipe, Hugo A. L., Loura, Luís M. S., Moreno, Maria João

مصطلحات موضوعية: amphiphilic molecules, asymmetric lipid bilayers, lipid membranes, molecular dynamics simulations, nitrobenzoxadiazole, permeation, potential of mean force, umbrella sampling

Relation: #PLACEHOLDER_PARENT_METADATA_VALUE#; UIDB/00313/2020; UIDP/00313/2020; CENTRO-04-3559-FSE-000162; https://hdl.handle.net/10316/113183

الاتاحة: https://hdl.handle.net/10316/113183
https://doi.org/10.3390/membranes13060551

المؤلفون: Filipe, Hugo A. L., Loura, Luís M. S.

مصطلحات موضوعية: Biophysics, Molecular Dynamics Simulation

Relation: #PLACEHOLDER_PARENT_METADATA_VALUE#; UIDB/00313/2020; UIDP/00313/2020; CENTRO-04-3559-FSE-000162; http://hdl.handle.net/10316/103387

الاتاحة: http://hdl.handle.net/10316/103387
https://doi.org/10.3390/molecules27072105

المؤلفون: Moreno, Maria João, Loura, Luís M. S., M. Martins, Jorge, Salvador, Armindo, Velazquez-Campoy, Adrian

مصطلحات موضوعية: Binding affinity, Partition coefficient, Proteins, Lipid bilayers, Biomembranes, Stern–Volmer plots, Scatchard plots

Relation: International Journal of Molecular Sciences 23 (17): 9757 (2022); http://hdl.handle.net/10400.1/18237; 0.3390/ijms23179757

الاتاحة: http://hdl.handle.net/10400.1/18237

المؤلفون: Oliveira, Alexandre C., Filipe, Hugo A. L., Ramalho, João P. Prates, Salvador, Armindo, Geraldes, Carlos F. G. C., Moreno, Maria João, Loura, Luís M. S.

المساهمون: Programa Operacional Regional do Centro, Funda??o para a Ci?ncia e a Tecnologia

المصدر: Inorganic Chemistry ; volume 61, issue 30, page 11837-11858 ; ISSN 0020-1669 1520-510X

الاتاحة: http://dx.doi.org/10.1021/acs.inorgchem.2c01597
https://pubs.acs.org/doi/pdf/10.1021/acs.inorgchem.2c01597

المؤلفون: Oliveira, Alexandre C., Filipe, Hugo A. L., Geraldes, Carlos F.G.C., Voth, Gregory A., Moreno, Maria João, Loura, Luís M. S.

Relation: https://doi.org/10.5281/zenodo.11179584; https://doi.org/10.5281/zenodo.11179585; oai:zenodo.org:11179585

الاتاحة: https://doi.org/10.5281/zenodo.11179585

المؤلفون: Filipe, Hugo A. L., Javanainen, Matti, Salvador, Armindo, Galvao, Adelino M., Vattulainen, Ilpo, Loura, Luis M. S., Moreno, Maria Joao

المساهمون: Department of Physics

مصطلحات موضوعية: FLIP-FLOP, MEMBRANE PERMEATION, TRANSBILAYER DIFFUSION, PHOSPHOLIPID MEMBRANE, ACTIVATED PROCESSES, FLUORESCENCE ASSAY, CHEMICAL-REACTIONS, ABSOLUTE RATE, FORCE-FIELD, KINETICS, Chemical sciences, Computer and information sciences

وصف الملف: application/pdf

Relation: This work was partially supported by the Portuguese "Fundacao para a Ciencia e a Tecnologia" (FCT), through Projects 007630 UID/QUI/00313/2013 and PT2020_PTDC_DTP-FTO_2784_2014, cofunded by COMPETE2020-UE. M.J. and I.V. thank the Academy of Finland (Centre of Excellence program) and the European Research Council (Advanced Grant CROWDED-PRO-LIPIDS) for financial support.; Filipe , H A L , Javanainen , M , Salvador , A , Galvao , A M , Vattulainen , I , Loura , L M S & Moreno , M J 2018 , ' Quantitative Assessment of Methods Used To Obtain Rate Constants from Molecular Dynamics Simulations-Translocation of Cholesterol across Lipid Bilayers ' , Journal of Chemical Theory and Computation , vol. 14 , no. 7 , pp. 3840-3848 . https://doi.org/10.1021/acs.jctc.8b00150; ORCID: /0000-0001-7408-3214/work/47429189; ORCID: /0000-0003-4858-364X/work/47430051; http://hdl.handle.net/10138/321826; 1f075a9b-7cd8-43bf-97a8-68119b14400e; 85048122735; 000438654500039

الاتاحة: http://hdl.handle.net/10138/321826

المؤلفون: Filipe, Hugo A. L., Moreno, Maria João, Loura, Luís M. S.

مصطلحات موضوعية: fluorescence, lipid bilayer, membrane probes, molecular dynamics, molecular simulation, Fluorescent Dyes, Lipid Bilayers, Molecular Dynamics Simulation

Relation: #PLACEHOLDER_PARENT_METADATA_VALUE#; UIDB/00313/2020; POCI-01-0247-FEDER-033368; EcoX (CENTRO-01-0247-FEDER-033838); PTDC/DTP-FTO/2784/2014; https://hdl.handle.net/10316/106472

الاتاحة: https://hdl.handle.net/10316/106472
https://doi.org/10.3390/molecules25153424

المؤلفون: Filipe, Hugo A. L., Santos, Lennon S., Prates Ramalho, J. P., Moreno, Maria João, Loura, Luís M. S.

Relation: 1463-9076; Filipe, Hugo A. L.; Santos, Lennon S.; Prates Ramalho, J. P.; Moreno, Maria João; Loura, Luís M. S.Behaviour of NBD-head group labelled phosphatidylethanolamines in POPC bilayers: a molecular dynamics study, Phys. Chem. Chem. Phys. 17, 20066-20079, 2015.; nd

الاتاحة: http://hdl.handle.net/10174/16926

المؤلفون: Neves, Maria C., Filipe, Hugo A. L., Reis, Rita Leones, Prates Ramalho, João P., Coreta-Gomes, Filipe Manuel, Moreno, Maria João, Loura, Luís M. S.

مصطلحات موضوعية: bile salts, molecular dynamics simulations, membrane translocation, passive permeation, cholesterol absorption

Relation: #PLACEHOLDER_PARENT_METADATA_VALUE#; 007630 UID/QUI/00313/2013; PT2020-PTDC/DTPFTO/ 2784/2014; PTDC/QUI-OUT/29373/2017; SFRH/BPD/115561/2016; http://hdl.handle.net/10316/106977

الاتاحة: http://hdl.handle.net/10316/106977
https://doi.org/10.3389/fphys.2019.00393

المؤلفون: Filipe, Hugo A. L., Javanainen, Matti, Salvador, Armindo, Galvão, Adelino M., Vattulainen, Ilpo, Loura, Luís M. S., Moreno, Maria João

المساهمون: Tampere University, Physics, Research group: Biological Physics and Soft Matter, Research area: Computational Physics

مصطلحات موضوعية: 114 Physical sciences

وصف الملف: fulltext

Relation: 14; https://trepo.tuni.fi/handle/10024/126810

الاتاحة: https://trepo.tuni.fi/handle/10024/126810
https://doi.org/10.1021/acs.jctc.8b00150

المؤلفون: Magalhães, Nisa, Simões, Guilherme M., Cristiana, Ramos, Samelo, Jaime, Oliveira, Alexandre C., Filipe, Hugo A. L., Prates Ramalho, João P., Moreno, Maria João, Loura, Luís M. S.

Relation: Magalhães, N., Simões, G. M., Ramos, C., Samelo, J., Oliveira, A. C., Filipe, H. A., . . . Loura, L. M. (2022). Interactions between rhodamine dyes and model membrane systems—insights from molecular dynamics simulations. Molecules, 27(4), 1420. doi:10.3390/molecules27041420; http://hdl.handle.net/10174/33133; Molecules; nd; 305

الاتاحة: http://hdl.handle.net/10174/33133
https://doi.org/10.3390/molecules27041420

المؤلفون: do Canto, António M. T. M., Santos, Patrícia D., Martins, Jorge, Loura, Luís M. S.

مصطلحات موضوعية: Phospholipid-bilayers, Sphingomyelin bilayers, Biological-membranes, Solvent polarities, Water-penetration, Lipid rafts, Py scale, Cholesterol, Fluorescence, Mixtures

Relation: info:eu-repo/grantAgreement/FCT/5876-PPCDTI/PTDC%2FQUI-QUI%2F098198%2F2008/PT; info:eu-repo/grantAgreement/FCT/5876/PEst-OE%2FQUI%2FUI0313%2F2014/PT; info:eu-repo/grantAgreement/FCT/3599-PPCDT/PEst-OE%2FEQB%2FLA0023%2F2013/PT; info:eu-repo/grantAgreement/FCT/3599-PPCDT/PTDC%2FQUI-BIQ%2F112943%2F2009/PT; http://hdl.handle.net/10400.1/11952; https://doi.org/10.1016/j.colsurfa.2014.12.012

الاتاحة: http://hdl.handle.net/10400.1/11952
https://doi.org/10.1016/j.colsurfa.2014.12.012

المؤلفون: Loura, Luís M. S., Canto, António M. T. Martins do, Martins, Jorge

Relation: http://hdl.handle.net/10316/80887

الاتاحة: http://hdl.handle.net/10316/80887
https://doi.org/10.1016/j.bbamem.2012.12.014

المؤلفون: Canto, António M T Martins do, Carvalho, Alfredo J Palace, Ramalho, João P Prates, Loura, Luís M. S.

Relation: http://hdl.handle.net/10316/80831

الاتاحة: http://hdl.handle.net/10316/80831
https://doi.org/10.3390/ijms140714724

المؤلفون: Canto, A. M. T. Martins do, Carvalho, A. J. Palace, Ramalho, J. P. Prates, Loura, Luís M. S.

مصطلحات موضوعية: Cholesterol, HIV Envelope Protein gp41, HIV Fusion Inhibitors, HIV-1, Humans, Hydrogen Bonding, Lipid Bilayers, Models, Molecular, Molecular Dynamics Simulation, Peptide Fragments, Phosphatidylcholines, Virus Internalization

Relation: #PLACEHOLDER_PARENT_METADATA_VALUE#; FCOMP- 01-0124-FEDER-010787 (FCT PTDC/QUI-QUI/098198/ 2008); http://hdl.handle.net/10316/109852

الاتاحة: http://hdl.handle.net/10316/109852
https://doi.org/10.1155/2012/151854