Carmen Domene

Search results

• 2023

  Early Steps in C-Type Inactivation of the hERG Potassium Channel

  Pettini, F., Domene, C. & Furini, S., 9 Jan 2023, In: Journal of Chemical Information and Modeling. 63, 1, p. 251-258

  Research output: Contribution to journal › Article › peer-review

  Open Access

  • Potassium 100%
  • Potassium Channels 93%
  • Ions 67%
  • Molecular Dynamics Simulation 45%
  • Binding sites 38%
• 2022

  A potential route of capsaicin to its binding site in the TRPV1 ion channel

  Domene, C., Gonzalez Resines, S., Oakes, V. & Darre Castell, L., 23 May 2022, In: Journal of Chemical Information and Modeling. 62, 10, p. 2481-2489

  Research output: Contribution to journal › Article › peer-review

  Open Access

  • Capsaicin 100%
  • Binding sites 98%
  • leaflet 95%
  • pharmacology 86%
  • pain 67%

• Selective Anticancer Therapy Based on a HA-CD44 Interaction Inhibitor Loaded on Polymeric Nanoparticles

  Espejo-román, J. M., Rubio-Ruiz, B., Cano-Cortés, V., Cruz-López, O., Gonzalez-resines, S., Domene, C., Conejo-García, A. & Sánchez-Martín, R. M., 4 Apr 2022, In: Pharmaceutics. 14, 4, 788.

  Research output: Contribution to journal › Article › peer-review

  Open Access

  • Hyaluronic Acid 100%
  • Nanoparticles 84%
  • 1,2,3,4-tetrahydroisoquinoline 78%
  • Molecular Cluster 61%
  • Ketones 60%
• 2021

  An Integrated Mass Spectrometry and Molecular Dynamics Simulations Approach Reveals the Spatial Organization Impact of Metal-Binding Sites on the Stability of Metal-Depleted Metallothionein-2 Species

  Peris-Díaz, M. D., Guran, R., Domene, C., de Los Rios, V., Zitka, O., Adam, V. & Krężel, A., 13 Oct 2021, In: Journal of the American Chemical Society. 143, 40, p. 16486-16501 16 p.

  Research output: Contribution to journal › Article › peer-review

  Open Access

  • Binding sites 100%
  • Mass spectrometry 91%
  • Metallothionein 88%
  • Molecular dynamics 80%
  • Molecular Dynamics Simulation 79%
  2 Citations (SciVal)

• Ion Conduction Mechanism as a Fingerprint of Potassium Channels

  Domene, C., Ocello, R., Masetti, M. & Furini, S., 11 Aug 2021, In: Journal of the American Chemical Society. 143, 31, p. 12181-12193 13 p.

  Research output: Contribution to journal › Article › peer-review

  Open Access

  File

  • Potassium 100%
  • Dermatoglyphics 95%
  • Potassium Channels 93%
  • Ions 74%
  • Permeation 64%
  1 Citation (SciVal)

  11 Downloads (Pure)

• Multiple Interactions of Glucose with the Extra-Membranous Loops of GLUT1 Aid Transport

  Gonzalez-Resines, S., Quinn, P. J., Naftalin, R. J. & Domene, C., 26 Jul 2021, In: Journal of Chemical Information and Modeling. 61, 7, p. 3559-3570 12 p.

  Research output: Contribution to journal › Article › peer-review

  Open Access

  File

  • Glucose 100%
  • fluctuation 95%
  • interaction 41%
  • Lipid bilayers 28%
  • Gels 27%
  9 Downloads (Pure)

• Structure based analysis of KATP channel with a DEND syndrome mutation in murine skeletal muscle

  Horita, S., Ono, T., Gonzalez-Resines, S., Ono, Y., Yamachi, M., Zhao, S., Maejima, Y., Shimomura, K. & Domene, C., 31 Dec 2021, In: Scientific Reports. 11, 1, 6668.

  Research output: Contribution to journal › Article › peer-review

  Open Access

  • KATP Channels 100%
  • Epilepsy 66%
  • Skeletal Muscle 62%
  • Mutation 44%
  • Muscle Weakness 33%
  1 Citation (SciVal)

• The ligand-bound state of a G protein-coupled receptor stabilizes the interaction of functional cholesterol molecules

  Lemel, L., Nieścierowicz, K., García-fernández, M. D., Darré, L., Durroux, T., Busnelli, M., Pezet, M., Rebeille, F., Jouhet, J., Mouillac, B., Domene, C., Chini, B., Cherezov, V. & Moreau, C. J., 31 Dec 2021, In: Journal of Lipid Research. 62, 100059.

  Research output: Contribution to journal › Article › peer-review

  Open Access

  • Oxytocin 100%
  • G-Protein-Coupled Receptors 93%
  • Cholesterol 83%
  • Oxytocin Receptors 73%
  • Ligands 65%
  4 Citations (SciVal)
• 2020

  Affinity for the Interface Underpins Potency of Antibodies Operating In Membrane Environments

  Rujas, E., Insausti, S., Leaman, D. P., Carravilla, P., González-Resines, S., Monceaux, V., Sánchez-Eugenia, R., García-Porras, M., Iloro, I., Zhang, L., Elortza, F., Julien, J-P., Saéz-Cirión, A., Zwick, M. B., Eggeling, C., Ojida, A., Domene, C., Caaveiro, J. M. M. & Nieva, J. L., 18 Aug 2020, In: Cell Reports. 32, 7, 108037.

  Research output: Contribution to journal › Article › peer-review

  Open Access

  • Epitope 100%
  • Membranes 58%
  • Environment 55%
  • Antigen 54%
  • Modification 54%
  3 Citations (SciVal)

• Conduction and Gating Properties of the TRAAK Channel from Molecular Dynamics Simulations with Different Force Fields

  Ocello, R., Furini, S., Lugli, F., Recanatini, M., Domene, C. & Masetti, M., 28 Dec 2020, In: Journal of Chemical Information and Modeling. 60, 12, p. 6532-6543 12 p.

  Research output: Contribution to journal › Article › peer-review

  Open Access

  File

  • Molecular dynamics 100%
  • Ions 81%
  • simulation 70%
  • Molecular Dynamics 65%
  • Force 60%
  6 Citations (SciVal)

  5 Downloads (Pure)

• Critical Assessment of Common Force Fields for Molecular Dynamics Simulations of Potassium Channels

  Furini, S. & Domene, C., 10 Nov 2020, In: Journal of Chemical Theory and Computation. 16, 11, p. 7148–7159 10 p.

  Research output: Contribution to journal › Article › peer-review

  • Potassium 100%
  • Molecular dynamics 91%
  • field theory (physics) 82%
  • Membranes 68%
  • Molecular Dynamics 60%
  7 Citations (SciVal)

• Differential Stability of Aurein 1.2 Pores in Model Membranes of Two Probiotic Strains

  Balatti, G. E. E., Domene, C., Martini, M. F. F. & Pickholz, M., 26 Oct 2020, In: Journal of Chemical Information and Modeling. 60, 10, p. 5142-5152

  Research output: Contribution to journal › Article › peer-review

  Open Access

  File

  • Probiotics 100%
  • Peptides 60%
  • Membranes 45%
  • Strain 37%
  • Pore 35%
  1 Citation (SciVal)

  24 Downloads (Pure)

• Effect of anionic lipids on ion permeation through the KcsA K+-channel

  Oakes, V., Furini, S. & Domene, C., 1 Nov 2020, In: Biochimica Et Biophysica Acta-Biomembranes. 1862, 11, 183406.

  Research output: Contribution to journal › Article › peer-review

  Open Access

  File

  • Ions 100%
  • Lipid 83%
  • Lipids 79%
  • Lipid Bilayers 47%
  • Ion 47%
  2 Citations (SciVal)

  14 Downloads (Pure)

• Insights into the mechanisms of K+ permeation in K+-channels from computer simulations

  Oakes, V., Furini, S. & Domene, C., 14 Jan 2020, In: Journal of Chemical Theory and Computation. 16, 1, p. 794-799 6 p.

  Research output: Contribution to journal › Article › peer-review

  Open Access

  File

  • Permeation 100%
  • Ions 77%
  • computerized simulation 68%
  • selectivity 66%
  • Simulation 53%
  2 Citations (SciVal)

  18 Downloads (Pure)

• Mechanism of molecular oxygen diffusion in a hypoxia sensing prolyl hydroxylase using multiscale simulation

  Domene, C., Jorgensen, C. & Schofield, C. J., 5 Feb 2020, In: Journal of the American Chemical Society. 142, 5, p. 2253-2263 11 p.

  Research output: Contribution to journal › Article › peer-review

  Open Access

  File

  • Molecular oxygen 100%
  • Prolyl Hydroxylases 80%
  • Hypoxia 45%
  • Hydroxylation 41%
  • Oxygen 40%
  8 Citations (SciVal)

  12 Downloads (Pure)

• The Bilayer Collective Properties Govern the Interaction of an HIV-1 Antibody with the Viral Membrane

  Carravilla, P., Darré, L., Oar-Arteta, I. R., Vesga, A. G., Rujas, E., de Las Heras-Martínez, G., Domene, C., Nieva, J. L. & Requejo-Isidro, J., 7 Jan 2020, In: Biophysical Journal. 118, 1, p. 44-56

  Research output: Contribution to journal › Article › peer-review

  Open Access

  File

  • Viral Antibodies 100%
  • HIV-1 59%
  • Membranes 40%
  • Lipid Bilayers 30%
  • Broadly Neutralizing Antibodies 24%
  2 Citations (SciVal)

  8 Downloads (Pure)
• 2019

  Antibiotic resistance and host immune evasion in Staphylococcus aureus mediated by a metabolic adaptation

  Jiang, J-H., Bhuiyan, M. S., Shen, H-H., Cameron, D. R., Rupasinghe, T. W. T., Wu, C-M., Le Brun, A. P., Kostoulias, X., Domene, C., Fulcher, A. J., McConville, M. J., Howden, B. P., Lieschke, G. J. & Peleg, A. Y., 26 Feb 2019, In: Proceedings of the National Academy of Sciences of the United States of America. 116, 9, p. 3722-3727 6 p.

  Research output: Contribution to journal › Article › peer-review

  Open Access

  File

  • Immune Evasion 100%
  • Microbial Drug Resistance 79%
  • Staphylococcus aureus 68%
  • Daptomycin 47%
  • Membranes 47%
  26 Citations (SciVal)

  36 Downloads (Pure)

• Combining Structural Data with Computational Methodologies to Investigate Structure-Function Relationships in TRP Channels

  Oakes, V. & Domene, C., 27 Apr 2019, In: Methods in molecular biology (Clifton, N.J.). 1987, p. 65-82 18 p.

  Research output: Contribution to journal › Article › peer-review

  • Transient Receptor Potential Channels 100%
  • Molecular Dynamics Simulation 42%
  • Computing Methodologies 32%
  • Cryoelectron Microscopy 26%
  • TRPV1 receptor 25%
  3 Citations (SciVal)

• Influence of Cholesterol and its Stereoisomers on Members of the Serotonin Receptor Family

  Oakes, V. & Domene, C., 5 Apr 2019, In: Journal of Molecular Biology. 431, 8, p. 1633-1649 17 p.

  Research output: Contribution to journal › Article › peer-review

  Open Access

  File

  • Stereoisomerism 100%
  • Serotonin Receptors 83%
  • Cholesterol 52%
  • Serotonin 30%
  • Membranes 16%
  5 Citations (SciVal)

  43 Downloads (Pure)

• Modulation of the potassium channel KcsA by anionic phospholipids: Role of arginines at the non-annular lipid binding sites

  Poveda, J. A., Giudici, A. M., Renart, M. L., Millet, O., Morales, A., González-Ros, J. M., Oakes, V., Furini, S. & Domene, C., 1 Oct 2019, In: Biochimica Et Biophysica Acta-Biomembranes. 1861, 10, 183029.

  Research output: Contribution to journal › Article › peer-review

  Open Access

  File

  • Anionic Phospholipid 100%
  • Phosphatidic Acids 92%
  • Phosphatidic Acid 89%
  • Potassium Channels 80%
  • Arginine 70%
  9 Citations (SciVal)

  10 Downloads (Pure)
• 2018

  2-oxoglutarate regulates binding of hydroxylated hypoxia-inducible factor to prolyl hydroxylase domain 2

  Domene, C., Abboud, M. I., McAllister, T. E., Leung, I. K. H., Chowdhury, R., Jorgensen, C., Mecinović, J., Lippl, K., Hancock, R. L., Hopkinson, R. J., Kawamura, A., Claridge, T. D. W. & Schofield, C. J., 28 Mar 2018, In: Chemical Communications. 54, 25, p. 3130-3133 4 p.

  Research output: Contribution to journal › Article › peer-review

  Open Access

  • Hydroxylation 100%
  • Enzymes 63%
  • Animals 53%
  • Degradation 38%
  20 Citations (SciVal)

• Exposure of the HIV-1 broadly neutralizing antibody 10E8 MPER epitope on the membrane surface by gp41 transmembrane domain scaffolds

  Oakes, V., Torralba, J., Rujas, E., Nieva, J. L., Domene, C. & Apellaniz, B., 1 Jun 2018, In: Biochimica et Biophysica Acta. 1860, 6, p. 1259-1271 13 p.

  Research output: Contribution to journal › Article › peer-review

  Open Access

  File

  • Broadly Neutralizing Antibodies 100%
  • HIV-1 61%
  • Epitopes 60%
  • Membranes 42%
  • Cholesterol 8%
  3 Citations (SciVal)

  46 Downloads (Pure)

• Ion-triggered selectivity in bacterial sodium channels

  Furini, S. & Domene, C., 22 May 2018, In: Proceedings of the National Academy of Sciences of the United States of America. 115, 21, p. 5450-5455 6 p.

  Research output: Contribution to journal › Article › peer-review

  Open Access

  File

  • Sodium Channels 100%
  • Ions 70%
  • Molecular Dynamics Simulation 31%
  • Membrane Potentials 27%
  • Potassium 25%
  13 Citations (SciVal)

  74 Downloads (Pure)

• Location and character of volatile general anesthetics binding sites in the transmembrane domain of TRPV1

  Jorgensen, C. & Domene, C., 4 Sep 2018, In: Molecular Pharmaceutics. 15, 9, p. 3920-3930 11 p.

  Research output: Contribution to journal › Article › peer-review

  Open Access

  File

  • General Anesthetics 100%
  • Anaesthetic 97%
  • Anesthetics 69%
  • Capsaicin 67%
  • Binding Sites 60%
  7 Citations (SciVal)

  47 Downloads (Pure)

• Role of zinc and magnesium ions in the modulation of phosphoryl transfer in protein tyrosine phosphatase 1B

  Bellomo, E., Abro, A., Hogstrand, C., Maret, W. & Domene, C., 28 Mar 2018, In: Journal of the American Chemical Society. 140, 12, p. 4446-4454 9 p.

  Research output: Contribution to journal › Article › peer-review

  Open Access

  File

  • Phosphatases 100%
  • Non-Receptor Type 1 Protein Tyrosine Phosphatase 90%
  • Psychology Transfer 69%
  • Magnesium Ion 68%
  • Phosphoryl 67%
  11 Citations (SciVal)

  61 Downloads (Pure)

• Stereospecific Interactions of Cholesterol in a Model Cell Membrane: Implications for the Membrane Dipole Potential

  Oakes, V. & Domene, C., 1 Jun 2018, In: Journal of Membrane Biology. 251, 3, p. 507-519 13 p.

  Research output: Contribution to journal › Article › peer-review

  Open Access

  File

  • Membrane Potentials 100%
  • Cholesterol 75%
  • Cell Membrane 74%
  • Phospholipids 18%
  • Cell Membrane Structures 15%
  6 Citations (SciVal)

  52 Downloads (Pure)
• 2017

  13C-Carbamylation as a mechanistic probe for the inhibition of class D β-lactamases by avibactam and halide ions

  Lohans, C. T., Wang, D. Y., Jorgensen, C., Cahill, S. T., Clifton, I. J., McDonough, M. A., Oswin, H. P., Spencer, J., Domene Nunez, C., Claridge, T. D. W., Brem, J. & Schofield, C. J., 28 Jul 2017, In: Organic and Biomolecular Chemistry. 15, 28, p. 6024-6032 9 p.

  Research output: Contribution to journal › Article › peer-review
  13 Citations (SciVal)

• Functional Mapping of the N-terminal Arginine Cluster and C-terminal Acidic Residues of Kir6.2 channel Fused to a G Protein-Coupled Receptor

  Principalli, M. A., Lemel, L., Rongier, A., Godet, A-C., Langer, K., Revilloud, J., Darré, L., Domene Nunez, C., Vivaudou, M. & Moreau, C. J., Oct 2017, In: Biochimica Et Biophysica Acta-Biomembranes. 1859, 10, p. 2144-2153 10 p.

  Research output: Contribution to journal › Article › peer-review
  2 Citations (SciVal)

• Membrane Phase-Dependent Occlusion of Intramolecular GLUT1 Cavities Demonstrated by Simulations

  Iglesias-Fernandez, J., Quinn, P. J., Naftalin, R. J. & Domene Nunez, C., 28 Mar 2017, In: Biophysical Journal. 112, 6, p. 1176-1184 9 p.

  Research output: Contribution to journal › Article › peer-review
  8 Citations (SciVal)

• Oxytocin Modulates Nociception as an Agonist of Pain-Sensing TRPV1

  Nersesyan, Y., Demirkhanyan, L., Cabezas-Bratesco, D., Oakes, V., Kusuda, R., Dawson, T., Sun, X., Cao, C., Cohen, A. M., Chelluboina, B., Veeravalli, K. K., Zimmermann, K., Domene Nunez, C., Brauchi, S. & Zakharian, E., 7 Nov 2017, (E-pub ahead of print) In: Cell Reports. 21, 6, p. 1681-1691 11 p.

  Research output: Contribution to journal › Article › peer-review

  Open Access

  • Oxytocin 100%
  • Nociception 87%
  • Agonist 71%
  • Pain 42%
  • Oxytocin Receptors 22%
  61 Citations (SciVal)

• Ribonucleotide Reductase Requires Subunit Switching in Hypoxia to Maintain DNA Replication

  Foskolou, I. P., Jorgensen, C., Leszczynska, K. B., Olcina, M. M., Tarhonskaya, H., Haisma, B., D’Angiolella, V., Myers, W. K., Domene Nunez, C., Flashman, E. & Hammond, E. M., 1 Apr 2017, In: Molecular Cell. 66, 2, p. 206-220 e9.

  Research output: Contribution to journal › Article › peer-review

  Open Access
  36 Citations (SciVal)
• 2016

  A perspective on structural and computational work on collagen

  Domene Nunez, C., Jorgensen, C. & Abbasi, S. W., 28 Sep 2016, In: Physical Chemistry Chemical Physics. 18, 36, p. 24802-24811 10 p.

  Research output: Contribution to journal › Article › peer-review
  17 Citations (SciVal)

• Computational studies of transport in ion channels using metadynamics

  Furini, S. & Domene Nunez, C., 1 Jul 2016, In: Biochimica Et Biophysica Acta-Biomembranes. 1858, 7 Pt B, p. 1733-1740 8 p.

  Research output: Contribution to journal › Article › peer-review

  Open Access

  • Bias Potential 100%
  • Molecular Dynamics Simulation 78%
  • Ion Channels 69%
  • Simulation 44%
  • Sampling 38%
  25 Citations (SciVal)

• Energetics of Ion Permeation in an Open-Activated TRPV1 Channel

  Jorgensen, C., Furini, S. & Domene Nunez, C., 20 Sep 2016, In: Biophysical Journal. 111, 6, p. 1214-1222 9 p.

  Research output: Contribution to journal › Article › peer-review

  Open Access

  • Ions 100%
  • Ion Channels 79%
  • Channelopathies 28%
  • Transient Receptor Potential Channels 26%
  • Molecular Dynamics Simulation 22%
  13 Citations (SciVal)

• Exploring the Dynamics of the TWIK-1 Channel

  Oakes, V., Furini, S., Pryde, D. & Domene Nunez, C., 1 Aug 2016, In: Biophysical Journal. 111, 4, p. 775-784 10 p.

  Research output: Contribution to journal › Article › peer-review

  Open Access
  4 Citations (SciVal)

• Lateral fenestrations in K+-channels explored using MD simulations

  Jorgensen, C., Darre Castell, L., Oakes, V., Torella, R., Pryde, D. & Domene Nunez, C., 1 Jul 2016, In: Molecular Pharmaceutics. 13, 7, p. 2263-2273 11 p.

  Research output: Contribution to journal › Article › peer-review

  Open Access
  15 Citations (SciVal)

• Structural basis for oxygen degradation domain selectivity of the HIF prolyl hydroxylases

  Chowdhury, R., Leung, I. K. H., Tian, Y-M., Abboud, M. I., Ge, W., Domene Nunez, C., Cantrelle, F-X., Landrieu, I., Hardy, A. P., Pugh, C. W., Ratcliffe, P. J., Claridge, T. D. W. & Schofield, C. J., 26 Aug 2016, In: Nature Communications. 7, p. 1-10 10 p., 12673.

  Research output: Contribution to journal › Article › peer-review

  Open Access

  • Prolyl Hydroxylases 100%
  • hypoxia 89%
  • selectivity 67%
  • Hypoxia 56%
  • Transcription Factors 53%
  64 Citations (SciVal)

• The use of multiscale molecular simulations in understanding a relationship between the structure and function of biological systems of the brain: The application to monoamine oxidase enzymes

  Vianello, R., Domene Nunez, C. & Mavri, J., 1 Jul 2016, In: Frontiers in Neuroscience. 10, JUL

  Research output: Contribution to journal › Article › peer-review

  Open Access
  27 Citations (SciVal)

• Voltage-Gated Sodium Channels: Mechanistic Insights From Atomistic Molecular Dynamics Simulations

  Oakes, V., Furini, S. & Domene Nunez, C., 1 Mar 2016, In: Current Topics in Membranes. 78, p. 183-214

  Research output: Contribution to journal › Article › peer-review

  • Voltage-Gated Sodium Channels 100%
  • Molecular Dynamics Simulation 81%
  • Ion Channels 72%
  • Metabolic Activation 29%
  • Ions 20%
  4 Citations (SciVal)
• 2015

  Antimicrobial peptide dendrimer interacts with phosphocholine membranes in a fluidity dependent manner: A neutron reflection study combined with molecular dynamics simulations

  Lind, T. K., Darré, L., Domene Nunez, C., Urbanczyk-Lipkowska, Z., Cardenas, M. & Wacklin, H. P., 1 Oct 2015, In: Biochimica Et Biophysica Acta-Biomembranes. 1848, 10, Part A, p. 2075-2084 10 p.

  Research output: Contribution to journal › Article › peer-review

  Open Access

  • Dendrimers 100%
  • Neutrons 97%
  • Phosphocholine 97%
  • Phosphorylcholine 94%
  • Fluidity 81%
  16 Citations (SciVal)

• Bias-Exchange Metadynamics Simulations: An Efficient Strategy for the Analysis of Conduction and Selectivity in Ion Channels

  Domene Nunez, C., Barbini, P. & Furini, S., 1 Apr 2015, In: Journal of Chemical Theory and Computation. 11, 4, p. 1896-1906 11 p.

  Research output: Contribution to journal › Article › peer-review

  • selectivity 100%
  • Ions 97%
  • conduction 70%
  • Simulation 66%
  • Ion 41%
  23 Citations (SciVal)

• Binding of Capsaicin to the TRPV1 Ion Channel

  Darre Castell, L. & Domene Nunez, C., 1 Dec 2015, In: Molecular Pharmaceutics. 12, 12, p. 4454-4465 12 p.

  Research output: Contribution to journal › Article › peer-review
  46 Citations (SciVal)

• Blocking the Passage: C₆₀ Geometrically Clogs K⁺ Channels

  Calvaresi, M., Furini, S., Domene Nunez, C., Bottoni, A. & Zerbetto, F., 1 May 2015, In: ACS Nano. 9, 5, p. 4827-4834 8 p.

  Research output: Contribution to journal › Article › peer-review

  Open Access

  • Binding sites 100%
  • Binding Site 50%
  • affinity 39%
  • Block Like Crystal 36%
  • Molecular mechanics 28%
  27 Citations (SciVal)

• In Silico Identification of PAP-1 Binding Sites in the Kv1.2 Potassium Channel

  Jorgensen, C., Darre Castell, L., Vanommeslaeghe, K., Omoto, K., Pryde, D. & Domene Nunez, C., 1 Apr 2015, In: Molecular Pharmaceutics. 12, 4, p. 1299-1307 9 p.

  Research output: Contribution to journal › Article › peer-review

  • Kv1.2 Potassium Channel 100%
  • Psoralen 80%
  • Ficusin 79%
  • Voltage-Gated Potassium Channels 74%
  • Molecular Dynamics Simulation 63%
  10 Citations (SciVal)

• Molecular Dynamics Simulations and Neutron Reflectivity as an Effective Approach To Characterize Biological Membranes and Related Macromolecular Assemblies

  Darre Castell, L., Iglesias-Fernandez, J., Kohlmeyer, A., Wacklin, H. & Domene Nunez, C., 1 Oct 2015, In: Journal of Chemical Theory and Computation. 11, 10, p. 4875-4884 10 p.

  Research output: Contribution to journal › Article › peer-review
  13 Citations (SciVal)

• Permeation and Dynamics of an Open-Activated TRPV1 Channel

  Darré, L., Furini, S. & Domene Nunez, C., 30 Jan 2015, In: Journal of Molecular Biology. 427, 2, p. 537-549 13 p.

  Research output: Contribution to journal › Article › peer-review

  • Transient Receptor Potential Channels 100%
  • Ions 63%
  • Single Molecule Imaging 35%
  • TRPV1 receptor 34%
  • Molecular Dynamics Simulation 28%
  18 Citations (SciVal)

• Quantifying the Binding Interaction between the Hypoxia-Inducible Transcription Factor and the von Hippel-Lindau Suppressor

  Domene Nunez, C., Jorgensen, C., Vanommeslaeghe, K., Schofield, C. J. & MacKerell, A., 1 Aug 2015, In: Journal of Chemical Theory and Computation. 11, 8, p. 3946-3954 9 p.

  Research output: Contribution to journal › Article › peer-review

  • Transcription factors 100%
  • suppressors 99%
  • hypoxia 87%
  • 4-Hydroxyproline 55%
  • Tumor Suppressor Protein 55%
  1 Citation (SciVal)

• Surfactin at the Water/Air Interface and in Solution

  Iglesias-Fernández, J., Darre, L., Kohlmeyer, A., Thomas, R. K., Shen, H. H. & Domene Nunez, C., 1 Oct 2015, In: Langmuir . 31, 40, p. 11097-11104 8 p.

  Research output: Contribution to journal › Article › peer-review

  • Surfactin 100%
  • Molecular dynamics 73%
  • air 39%
  • Agglomeration 37%
  • water 37%
  13 Citations (SciVal)
• 2014

  Cholesterol-Dependent Membrane Fusion Induced by the gp41 Membrane-Proximal External Region-Transmembrane Domain Connection Suggests a Mechanism for Broad HIV-1 Neutralization

  Apellániz, B., Rujas, E., Carravilla, P., Requejo-Isidro, J., Huarte, N., Domene Nunez, C. & Nieva, J. L., 1 Nov 2014, In: Journal of Virology. 88, 22, p. 13367-13377 11 p.

  Research output: Contribution to journal › Article › peer-review

  • membrane fusion 100%
  • Membrane Fusion 92%
  • Human immunodeficiency virus 1 92%
  • neutralization 77%
  • HIV-1 65%
  18 Citations (SciVal)

• Development of GoSlo-SR-5-69, a potent activator of large conductance Ca2+-activated K+ (BK) channels

  Roy, S., Large, R. J., Akande, A. M., Kshatri, A., Webb, T. I., Domene Nunez, C., Sergeant, G. P., McHale, N. G., Thornbury, K. D. & Hollywood, M. A., 21 Mar 2014, In: European Journal of Medicinal Chemistry. 75, p. 426-437 12 p.

  Research output: Contribution to journal › Article › peer-review

  • Large-Conductance Calcium-Activated Potassium Channels 100%
  • Calcium-Activated Potassium Channels 93%
  • Cyclopentane 87%
  • Anthraquinone 78%
  • naphthalene 76%
  12 Citations (SciVal)