re-TAMD: exploring interactions between H3 peptide and YEATS domain using enhanced sampling
Author:
Funder
Institut Pasteur
Centre National de la Recherche Scientifique
Publisher
Springer Science and Business Media LLC
Subject
Structural Biology
Link
http://link.springer.com/content/pdf/10.1186/s12900-018-0083-6.pdf
Reference65 articles.
1. Noble MEM, Endicott JA, Johnson LN. Protein kinase inhibitors: insights into drug design from structure. Science. 2004; 303(5665):1800–5.
2. Chen Y, Scully M, Dawson G, Goodwin C, Xia M, Lu X, et al. Perturbation of the heparin/heparin-sulfate interactome of human breast cancer cells modulates pro-tumourigenic effects associated with PI3K/Akt and MAPK/ERK signalling. Thromb Haemost. 2013; 109(6):1148–57.
3. Gumbart J, Roux B, Chipot C. Efficient determination of protein-protein standard binding free energies from first principles. J Chem Theory Comput. 2013; 9:3789–98.
4. Omer A, Suryanarayanan V, Selvaraj C, Singh S, Singh P. Re-positioning: Predicting Novel Drug-Target Interactions of the Shelved Molecules with QM/MM Based Approaches. Adv Protein Chem Struct Biol. 2015; 100:89–112.
5. Cole J, Murray C, Nissink J, Taylor R, Taylor R. Comparing protein-ligand docking programs is difficult. Proteins. 2005; 60:325–32.
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