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In situ data analytics and indexing of protein trajectories.
Johnston T, Zhang B, Liwo A, Crivelli S, Taufer M. Johnston T, et al. Among authors: taufer m. J Comput Chem. 2017 Jun 15;38(16):1419-1430. doi: 10.1002/jcc.24729. Epub 2017 Jan 17. J Comput Chem. 2017. PMID: 28093787
Evaluation of several two-step scoring functions based on linear interaction energy, effective ligand size, and empirical pair potentials for prediction of protein-ligand binding geometry and free energy.
Rahaman O, Estrada TP, Doren DJ, Taufer M, Brooks CL 3rd, Armen RS. Rahaman O, et al. Among authors: taufer m. J Chem Inf Model. 2011 Sep 26;51(9):2047-65. doi: 10.1021/ci1003009. Epub 2011 Jun 6. J Chem Inf Model. 2011. PMID: 21644546 Free PMC article.
A Graphic Encoding Method for Quantitative Classification of Protein Structure and Representation of Conformational Changes.
Carrillo-Cabada H, Benson J, Razavi AM, Mulligan B, Cuendet MA, Weinstein H, Taufer M, Estrada T. Carrillo-Cabada H, et al. Among authors: taufer m. IEEE/ACM Trans Comput Biol Bioinform. 2021 Jul-Aug;18(4):1336-1349. doi: 10.1109/TCBB.2019.2945291. Epub 2021 Aug 6. IEEE/ACM Trans Comput Biol Bioinform. 2021. PMID: 31603792 Free PMC article.
39 results