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Simulating Water Exchange to Buried Binding Sites.
Ben-Shalom IY, Lin C, Kurtzman T, Walker RC, Gilson MK. Ben-Shalom IY, et al. Among authors: walker rc. J Chem Theory Comput. 2019 Apr 9;15(4):2684-2691. doi: 10.1021/acs.jctc.8b01284. Epub 2019 Mar 13. J Chem Theory Comput. 2019. PMID: 30835999 Free PMC article.
Immunoglobulin G1 Fc domain motions: implications for Fc engineering.
Frank M, Walker RC, Lanzilotta WN, Prestegard JH, Barb AW. Frank M, et al. Among authors: walker rc. J Mol Biol. 2014 Apr 17;426(8):1799-811. doi: 10.1016/j.jmb.2014.01.011. Epub 2014 Feb 9. J Mol Biol. 2014. PMID: 24522230 Free PMC article.
LIPID11: a modular framework for lipid simulations using amber.
Skjevik ÅA, Madej BD, Walker RC, Teigen K. Skjevik ÅA, et al. Among authors: walker rc. J Phys Chem B. 2012 Sep 13;116(36):11124-36. doi: 10.1021/jp3059992. Epub 2012 Sep 4. J Phys Chem B. 2012. PMID: 22916730 Free PMC article.
A Kepler Workflow Tool for Reproducible AMBER GPU Molecular Dynamics.
Purawat S, Ieong PU, Malmstrom RD, Chan GJ, Yeung AK, Walker RC, Altintas I, Amaro RE. Purawat S, et al. Among authors: walker rc. Biophys J. 2017 Jun 20;112(12):2469-2474. doi: 10.1016/j.bpj.2017.04.055. Biophys J. 2017. PMID: 28636905 Free PMC article.
264 results