Best R - Search Results

1

The Polarizable Atomic Multipole-based AMOEBA Force Field for Proteins.

Shi Y, Xia Z, Zhang J, Best R, Wu C, Ponder JW, Ren P. Shi Y, et al. Among authors: best r. J Chem Theory Comput. 2013;9(9):4046-4063. doi: 10.1021/ct4003702. J Chem Theory Comput. 2013. PMID: 24163642 Free PMC article.

2

Optimization of the additive CHARMM all-atom protein force field targeting improved sampling of the backbone φ, ψ and side-chain χ(1) and χ(2) dihedral angles.

Best RB, Zhu X, Shim J, Lopes PE, Mittal J, Feig M, Mackerell AD Jr. Best RB, et al. J Chem Theory Comput. 2012 Sep 11;8(9):3257-3273. doi: 10.1021/ct300400x. Epub 2012 Jul 18. J Chem Theory Comput. 2012. PMID: 23341755 Free PMC article.

3

Matching of additive and polarizable force fields for multiscale condensed phase simulations.

Baker CM, Best RB. Baker CM, et al. J Chem Theory Comput. 2013 Jun 11;9(6):2826-2837. doi: 10.1021/ct400116g. J Chem Theory Comput. 2013. PMID: 23997691 Free PMC article.

4

Variational Optimization of an All-Atom Implicit Solvent Force Field to Match Explicit Solvent Simulation Data.

Bottaro S, Lindorff-Larsen K, Best RB. Bottaro S, et al. J Chem Theory Comput. 2013 Dec 10;9(12):5641-5652. doi: 10.1021/ct400730n. J Chem Theory Comput. 2013. PMID: 24748852 Free PMC article.

5

Balanced Protein-Water Interactions Improve Properties of Disordered Proteins and Non-Specific Protein Association.

Best RB, Zheng W, Mittal J. Best RB, et al. J Chem Theory Comput. 2014 Nov 11;10(11):5113-5124. doi: 10.1021/ct500569b. Epub 2014 Oct 16. J Chem Theory Comput. 2014. PMID: 25400522 Free PMC article.

6

Folding Kinetics and Unfolded State Dynamics of the GB1 Hairpin from Molecular Simulation.

De Sancho D, Mittal J, Best RB. De Sancho D, et al. J Chem Theory Comput. 2013 Mar 12;9(3):1743-53. doi: 10.1021/ct301033r. Epub 2013 Feb 7. J Chem Theory Comput. 2013. PMID: 26587632

7

Balancing Force Field Protein-Lipid Interactions To Capture Transmembrane Helix-Helix Association.

Domański J, Sansom MSP, Stansfeld PJ, Best RB. Domański J, et al. J Chem Theory Comput. 2018 Mar 13;14(3):1706-1715. doi: 10.1021/acs.jctc.7b00983. Epub 2018 Feb 9. J Chem Theory Comput. 2018. PMID: 29424543 Free PMC article.

8

Improving the Performance of the Amber RNA Force Field by Tuning the Hydrogen-Bonding Interactions.

Kührová P, Mlýnský V, Zgarbová M, Krepl M, Bussi G, Best RB, Otyepka M, Šponer J, Banáš P. Kührová P, et al. J Chem Theory Comput. 2019 May 14;15(5):3288-3305. doi: 10.1021/acs.jctc.8b00955. Epub 2019 Apr 2. J Chem Theory Comput. 2019. PMID: 30896943 Free PMC article.

9

Empirical Optimization of Interactions between Proteins and Chemical Denaturants in Molecular Simulations.

Zheng W, Borgia A, Borgia MB, Schuler B, Best RB. Zheng W, et al. J Chem Theory Comput. 2015 Nov 10;11(11):5543-53. doi: 10.1021/acs.jctc.5b00778. Epub 2015 Oct 13. J Chem Theory Comput. 2015. PMID: 26574341 Free PMC article.

10

Computer Folding of RNA Tetraloops: Identification of Key Force Field Deficiencies.

Kührová P, Best RB, Bottaro S, Bussi G, Šponer J, Otyepka M, Banáš P. Kührová P, et al. J Chem Theory Comput. 2016 Sep 13;12(9):4534-48. doi: 10.1021/acs.jctc.6b00300. Epub 2016 Aug 4. J Chem Theory Comput. 2016. PMID: 27438572 Free PMC article.

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