Scalable molecular dynamics with NAMD

Cited by (118)

Items 101–118 of 118

1. Phosphorylation of the retinoic acid receptor alpha induces a mechanical allosteric regulation and changes in internal dynamics
   Chebaro, Yassmine, Amal, Ismail, Rochel, Natacha, Rochette-Egly, Cécile, Stote, Roland H., Dejaegere, Annick · 2013 · PLoS Computational Biology
2. Heterodimer of A2A and oxytocin receptors regulating glutamate release in adult striatal astrocytes
   Amato, Sarah, Averna, Monica, Guidolin, Diego, Pedrazzi, Marco, Pelassa, Simone, Capraro, Michela, Passalacqua, Mario, Bozzo, Matteo, Gatta, Elena, Anderlini, Deanna et al. · 2022 · International Journal of Molecular Sciences
3. Molecular model of the ferroportin intracellular gate and implications for the human iron transport cycle and hemochromatosis type 4A
   Guellec, Julie, Elbahnsi, Ahmad, Tertre, Marlene Le, Uguen, Kevin, Gourlaouen, Isabelle, Férec, Claude, Ka, Chandran, Callebaut, Isabelle, Gac, Gerald Le · 2019 · The FASEB Journal
4. Charge Transfer at the Q_o-Site of the Cytochrome <i>bc</i>₁ Complex Leads to Superoxide Production
   Salo, Adrian Bøgh, Husen, Peter, Solov’yov, Ilia A. · 2017 · The Journal of Physical Chemistry B
5. Allosteric HIV Integrase Inhibitors Promote Formation of Inactive Branched Polymers via Homomeric Carboxy-Terminal Domain Interactions
   Gupta, Kushol, Allen, Audrey, Giraldo, Carolina, Eilers, Grant, Sharp, Robert, Hwang, Young, Murali, Hemma, Cruz, Katrina, Janmey, Paul, Bushman, Frederic et al. · 2021 · Structure
6. Dynamics of chromosome organization in a minimal bacterial cell
   Gilbert, Benjamin R., Thornburg, Zane R., Brier, Troy A., Stevens, Jan A., Grünewald, Fabian, Stone, John E., Marrink, Siewert J., Luthey-Schulten, Zaida · 2023 · Frontiers in Cell and Developmental Biology
7. Modifying inter-cistronic sequence significantly enhances IRES dependent second gene expression in bicistronic vector: Construction of optimised cassette for gene therapy of familial hypercholesterolemia
   Al-Allaf, Faisal A., Abduljaleel, Zainularifeen, Athar, Mohammad, Taher, Mohiuddin M., Khan, Wajahatullah, Mehmet, Huseyin, Colakogullari, Mukaddes, Apostolidou, Sophia, Bigger, Brian, Waddington, Simon et al. · 2019 · Non-coding RNA Research
8. Tyrosine oxidation and nitration in transmembrane peptides is connected to lipid peroxidation
   Bartesaghi, Silvina, Herrera, Daniel, Martinez, Débora M., Petruk, Ariel, Demicheli, Verónica, Trujillo, Madia, Martí, Marcelo A., Estrín, Darío A., Radi, Rafael · 2017 · Archives of Biochemistry and Biophysics
9. Mutations at the Q_o Site of the Cytochrome <i>b</i><i>c</i>₁ Complex Strongly Affect Oxygen Binding
   Husen, Peter, Solov’yov, Ilia A. · 2017 · The Journal of Physical Chemistry B
10. Systematic investigation of machine learning on limited data: A study on predicting protein-protein binding strength
    Zheng, Feifan, Jiang, Xin, Wen, Yuhao, Yang, Yan, Li, Minghui · 2024 · Computational and Structural Biotechnology Journal
11. Sustained administration of hormones exploiting nanoconfined diffusion through nanochannel membranes
    Geninatti, Thomas, Hood, R., Bruno, Giacomo, Jain, Priya, Nicolov, Eugenia, Ziemys, Arturas, Grattoni, Alessandro · 2015 · Materials
12. Improvement of memory deficits via acetylcholinesterase inhibitory activity of Nepeta nuda ssp. nuda essential oil in rats
    Dept. of Biology, Faculty of Science, Firat University, Elazig, Turkey, Akbaba, Emel, Bagci, Eyup, Dept. of Biology, Faculty of Science, Firat University, Elazig, Turkey, Hritcu, Lucian, Dept. of Biology, Alexandru Ioan Cuza University of Iasi, Iasi, Romania, Maniu, Calin, Dept. of Biology, Alexandru Ioan Cuza University of Iasi, Iasi, Romania · 2021 · Kuwait Journal of Science
13. Investigation of the interactions between the EphB2 receptor and SNEW peptide variants
    Ma, Buyong, Kolb, Stephanie, Diprima, Michael, Karna, Molleshree, Tosato, Giovanna, Yang, Qiqi, Huang, Qiang, Nussinov, Ruth · 2014 · Growth Factors
14. Allosteric Regulation in the Ligand Binding Domain of Retinoic Acid Receptorγ
    Chebaro, Yassmine, Sirigu, Serena, Amal, Ismail, Lutzing, Régis, Stote, Roland H., Rochette-Egly, Cécile, Rochel, Natacha, Dejaegere, Annick · 2017 · PLOS ONE
15. Structural basis of template strand deoxyuridine promoter recognition by a viral RNA polymerase
    Fraser, Alec, Sokolova, Maria L., Drobysheva, Arina V., Gordeeva, Julia V., Borukhov, Sergei, Jumper, John, Severinov, Konstantin V., Leiman, Petr G. · 2022 · Nature Communications
16. Assessment of the Topology and Oligomerisation States of Coiled Coils Using Metadynamics with Conformational Restraints
    Notari, Evangelia, Wood, Christopher W., Michel, Julien · 2025 · Journal of Chemical Theory and Computation
17. Novel metal sites revealed by spectroscopic and structural characterization of the ferric uptake regulator from <i>Acidithiobacillus ferrooxidans</i>
    Argandoña, Yerko, Olivos, Andrea, Obando, Patricia, Imas, Francisco, Pohl, Ehmke, Quatrini, Raquel, Arenas-Salinas, Mauricio · 2025 · Computational and Structural Biotechnology Journal
18. Discrimination of Methionine Sulfoxide and Sulfone by Human Neutrophil Elastase
    Leahy, Darren, Grant, Cameron, Jackson, Alex, Duff, Alex, Tardiota, Nicholas, Van Haeften, Jessica, Chen, Xingchen, Peake, Jonathan M., Kruppa, Michael D., Smith, Eliot T. et al. · 2021 · Molecules