Cossins BP - Search Results

1

Protein-ligand binding affinity by nonequilibrium free energy methods.

Cossins BP, Foucher S, Edge CM, Essex JW. Cossins BP, et al. J Phys Chem B. 2008 Nov 27;112(47):14985-92. doi: 10.1021/jp803533w. J Phys Chem B. 2008. PMID: 18973369

2

Assessment of nonequilibrium free energy methods.

Cossins BP, Foucher S, Edge CM, Essex JW. Cossins BP, et al. J Phys Chem B. 2009 Apr 23;113(16):5508-19. doi: 10.1021/jp803532z. J Phys Chem B. 2009. PMID: 19368411

3

Exploring transition pathway and free-energy profile of large-scale protein conformational change by combining normal mode analysis and umbrella sampling molecular dynamics.

Wang J, Shao Q, Xu Z, Liu Y, Yang Z, Cossins BP, Jiang H, Chen K, Shi J, Zhu W. Wang J, et al. Among authors: cossins bp. J Phys Chem B. 2014 Jan 9;118(1):134-43. doi: 10.1021/jp4105129. Epub 2013 Dec 26. J Phys Chem B. 2014. PMID: 24350625

4

Thermodynamics calculation of protein-ligand interactions by QM/MM polarizable charge parameters.

Wang J, Shao Q, Cossins BP, Shi J, Chen K, Zhu W. Wang J, et al. Among authors: cossins bp. J Biomol Struct Dyn. 2016;34(1):163-76. doi: 10.1080/07391102.2015.1019928. Epub 2015 Mar 11. J Biomol Struct Dyn. 2016. PMID: 25761118

5

Exploring hierarchical refinement techniques for induced fit docking with protein and ligand flexibility.

Borrelli KW, Cossins B, Guallar V. Borrelli KW, et al. J Comput Chem. 2010 Apr 30;31(6):1224-35. doi: 10.1002/jcc.21409. J Comput Chem. 2010. PMID: 19885871

6

Combining Machine Learning and Enhanced Sampling Techniques for Efficient and Accurate Calculation of Absolute Binding Free Energies.

Evans R, Hovan L, Tribello GA, Cossins BP, Estarellas C, Gervasio FL. Evans R, et al. Among authors: cossins bp. J Chem Theory Comput. 2020 Jul 14;16(7):4641-4654. doi: 10.1021/acs.jctc.0c00075. Epub 2020 Jun 4. J Chem Theory Comput. 2020. PMID: 32427471 Free PMC article.

7

Force fields and scoring functions for carbohydrate simulation.

Xiong X, Chen Z, Cossins BP, Xu Z, Shao Q, Ding K, Zhu W, Shi J. Xiong X, et al. Among authors: cossins bp. Carbohydr Res. 2015 Jan 12;401:73-81. doi: 10.1016/j.carres.2014.10.028. Epub 2014 Nov 8. Carbohydr Res. 2015. PMID: 25464084 Review.

8

Computational Exploration of Conformational Transitions in Protein Drug Targets.

Cossins BP, Lawson ADG, Shi J. Cossins BP, et al. Methods Mol Biol. 2018;1762:339-365. doi: 10.1007/978-1-4939-7756-7_17. Methods Mol Biol. 2018. PMID: 29594780

9

Membrane Interactions of α-Synuclein Revealed by Multiscale Molecular Dynamics Simulations, Markov State Models, and NMR.

Amos STA, Schwarz TC, Shi J, Cossins BP, Baker TS, Taylor RJ, Konrat R, Sansom MSP. Amos STA, et al. Among authors: cossins bp. J Phys Chem B. 2021 Mar 25;125(11):2929-2941. doi: 10.1021/acs.jpcb.1c01281. Epub 2021 Mar 15. J Phys Chem B. 2021. PMID: 33719460 Free PMC article.

10

A new view of the bacterial cytosol environment.

Cossins BP, Jacobson MP, Guallar V. Cossins BP, et al. PLoS Comput Biol. 2011 Jun;7(6):e1002066. doi: 10.1371/journal.pcbi.1002066. Epub 2011 Jun 9. PLoS Comput Biol. 2011. PMID: 21695225 Free PMC article.

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