Botello-Smith WM - Search Results

1

Numerical Poisson-Boltzmann Model for Continuum Membrane Systems.

Botello-Smith WM, Liu X, Cai Q, Li Z, Zhao H, Luo R. Botello-Smith WM, et al. Chem Phys Lett. 2013 Jan 3;555:274-281. doi: 10.1016/j.cplett.2012.10.081. Epub 2012 Nov 7. Chem Phys Lett. 2013. PMID: 23439886 Free PMC article.

2

Applications of MMPBSA to Membrane Proteins I: Efficient Numerical Solutions of Periodic Poisson-Boltzmann Equation.

Botello-Smith WM, Luo R. Botello-Smith WM, et al. J Chem Inf Model. 2015 Oct 26;55(10):2187-99. doi: 10.1021/acs.jcim.5b00341. Epub 2015 Oct 5. J Chem Inf Model. 2015. PMID: 26389966 Free PMC article.

3

Acceleration of Linear Finite-Difference Poisson-Boltzmann Methods on Graphics Processing Units.

Qi R, Botello-Smith WM, Luo R. Qi R, et al. J Chem Theory Comput. 2017 Jul 11;13(7):3378-3387. doi: 10.1021/acs.jctc.7b00336. Epub 2017 Jun 7. J Chem Theory Comput. 2017. PMID: 28553983 Free PMC article.

4

Modeling Membrane Protein-Ligand Binding Interactions: The Human Purinergic Platelet Receptor.

Greene D, Botello-Smith WM, Follmer A, Xiao L, Lambros E, Luo R. Greene D, et al. J Phys Chem B. 2016 Dec 8;120(48):12293-12304. doi: 10.1021/acs.jpcb.6b09535. Epub 2016 Nov 23. J Phys Chem B. 2016. PMID: 27934233 Free PMC article.

5

Can Relative Binding Free Energy Predict Selectivity of Reversible Covalent Inhibitors?

Chatterjee P, Botello-Smith WM, Zhang H, Qian L, Alsamarah A, Kent D, Lacroix JJ, Baudry M, Luo Y. Chatterjee P, et al. J Am Chem Soc. 2017 Dec 13;139(49):17945-17952. doi: 10.1021/jacs.7b08938. Epub 2017 Nov 29. J Am Chem Soc. 2017. PMID: 29124934 Free PMC article.

6

Ion Pairing and Dielectric Decrement in Glycosaminoglycan Brushes.

Sterling JD, Jiang W, Botello-Smith WM, Luo YL. Sterling JD, et al. Among authors: botello smith wm. J Phys Chem B. 2021 Mar 18;125(10):2771-2780. doi: 10.1021/acs.jpcb.0c11571. Epub 2021 Mar 4. J Phys Chem B. 2021. PMID: 33662212

7

Robust Determination of Protein Allosteric Signaling Pathways.

Botello-Smith WM, Luo Y. Botello-Smith WM, et al. J Chem Theory Comput. 2019 Apr 9;15(4):2116-2126. doi: 10.1021/acs.jctc.8b01197. Epub 2019 Mar 18. J Chem Theory Comput. 2019. PMID: 30836000

8

Polymodal allosteric regulation of Type 1 Serine/Threonine Kinase Receptors via a conserved electrostatic lock.

Botello-Smith WM, Alsamarah A, Chatterjee P, Xie C, Lacroix JJ, Hao J, Luo Y. Botello-Smith WM, et al. PLoS Comput Biol. 2017 Aug 21;13(8):e1005711. doi: 10.1371/journal.pcbi.1005711. eCollection 2017 Aug. PLoS Comput Biol. 2017. PMID: 28827795 Free PMC article.

9

Investigating Protein-Protein Allosteric Network using Current-Flow Scheme.

Botello-Smith WM, Luo Y. Botello-Smith WM, et al. J Comput Chem. 2020 Mar 5;41(6):552-560. doi: 10.1002/jcc.26108. Epub 2019 Nov 28. J Comput Chem. 2020. PMID: 31777972

10

Molecular Mechanism of Resveratrol's Lipid Membrane Protection.

Fei Q, Kent D, Botello-Smith WM, Nur F, Nur S, Alsamarah A, Chatterjee P, Lambros M, Luo Y. Fei Q, et al. Among authors: botello smith wm. Sci Rep. 2018 Jan 25;8(1):1587. doi: 10.1038/s41598-017-18943-1. Sci Rep. 2018. PMID: 29371621 Free PMC article.

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