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Table representation of search results timeline featuring number of search results per year.
Year | Number of Results |
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2015 | 1 |
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CIFDock: A novel CHARMM-based flexible receptor-flexible ligand docking protocol.
J Comput Chem. 2022 Jan 15;43(2):84-95. doi: 10.1002/jcc.26759. Epub 2021 Nov 6.
J Comput Chem. 2022.
PMID: 34741467
Elucidating a chemical defense mechanism of Antarctic sponges: A computational study.
Vankayala SL, Kearns FL, Baker BJ, Larkin JD, Lee Woodcock H.
Vankayala SL, et al.
J Mol Graph Model. 2017 Jan;71:104-115. doi: 10.1016/j.jmgm.2016.11.004. Epub 2016 Nov 10.
J Mol Graph Model. 2017.
PMID: 27894019
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A Comparison of the Structure and Bonding in the Aliphatic Boronic R-B(OH)2 and Borinic R-BH(OH) acids (R=H; NH2, OH, and F): A Computational Investigation.
Rao NZ, Larkin JD, Bock CW.
Rao NZ, et al.
Struct Chem. 2016 Aug;27(4):1081-1091. doi: 10.1007/s11224-015-0730-5. Epub 2015 Dec 30.
Struct Chem. 2016.
PMID: 29805241
Free PMC article.
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Modeling Boronic Acid Based Fluorescent Saccharide Sensors: Computational Investigation of d-Fructose Binding to Dimethylaminomethylphenylboronic Acid.
Kearns FL, Robart C, Kemp MT, Vankayala SL, Chapin BM, Anslyn EV, Woodcock HL, Larkin JD.
Kearns FL, et al.
J Chem Inf Model. 2019 May 28;59(5):2150-2158. doi: 10.1021/acs.jcim.8b00987. Epub 2019 Apr 22.
J Chem Inf Model. 2019.
PMID: 30908030
Free PMC article.
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Monosubstituted Phenylboronic Acids, R-B(OH)2 (R = C6H5, C6H4CH3, C6H4NH2, C6H4OH, and C6H4F): A Computational Investigation.
Rao NZ, Larkin JD, Bock CW.
Rao NZ, et al.
Struct Chem. 2017 Aug;28(4):945-955. doi: 10.1007/s11224-016-0897-4. Epub 2016 Dec 15.
Struct Chem. 2017.
PMID: 29375238
Free PMC article.
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Disaggregation is a Mechanism for Emission Turn-On of ortho-Aminomethylphenylboronic Acid-Based Saccharide Sensors.
Chapin BM, Metola P, Vankayala SL, Woodcock HL, Mooibroek TJ, Lynch VM, Larkin JD, Anslyn EV.
Chapin BM, et al.
J Am Chem Soc. 2017 Apr 19;139(15):5568-5578. doi: 10.1021/jacs.7b01755. Epub 2017 Apr 11.
J Am Chem Soc. 2017.
PMID: 28358506
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