U.S. Department of Health and Human Services
Robert Barrington Best

 Contact Info

Tel: 301-496-5414
Email: robert.best2@nih.gov

 Select Experience

  • United Kingdom Royal Society University Research Fellow University of Cambridge 2007–2012

 Related Links

Specialties: Biomedical Engineering/ Biophysics/ Physics, Computational Biology/ Bioinformatics/ Biostatistics/ Mathematics, Structural Biology


A selection of recent and significant publications can be viewed below.

de Sancho D, Sirur A, Best RB. Molecular origins of internal friction effects on protein-folding rates. Nat Commun. 2014 Jul 2; 5 :4307. [Full Text/Abstract]
Knott M, Best RB. Discriminating binding mechanisms of an intrinsically disordered protein via a multi-state coarse-grained model. J Chem Phys. 2014 May 7; 140 (17):175102. [Full Text/Abstract]
Kubas A, De Sancho D, Best RB, Blumberger J. Aerobic Damage to [FeFe]-Hydrogenases: Activation Barriers for the Chemical Attachment of O2. Angew Chem Int Ed Engl. 2014 Apr 14; 53 (16):4081-4. [Full Text/Abstract]
Sirur A, Knott M, Best RB. Effect of interactions with the chaperonin cavity on protein folding and misfolding. Phys Chem Chem Phys. 2014 Apr 14; 16 (14):6358-66. [Full Text/Abstract]
Wuttke R, Hofmann H, Nettels D, Borgia MB, Mittal J, Best RB, Schuler B. Temperature-dependent solvation modulates the dimensions of disordered proteins. Proc Natl Acad Sci U S A. 2014 Apr 8; 111 (14):5213-8. [Full Text/Abstract]
Richards CS, Palomaki GE, Lacbawan FL, Lyon E, Feldman GL, CAP/ACMG Biochemical and Molecular Genetics Resource Committee. Three-year experience of a CAP/ACMG methods-based external proficiency testing program for laboratories offering DNA sequencing for rare inherited disorders. Genet Med. 16 (1):25-32. [Full Text/Abstract]
Best RB. Folding and Binding: When the Force is Against You. Biophys J. 2013 Dec 17; 105 (12):2611-2. [Full Text/Abstract]
Tsytlonok M, Craig PO, Sivertsson E, Serquera D, Perrett S, Best RB, Wolynes PG, Itzhaki LS. Complex energy landscape of a giant repeat protein. Structure. 2013 Nov 5; 21 (11):1954-65. [Full Text/Abstract]
Carter JW, Baker CM, Best RB, De Sancho D. Engineering folding dynamics from two-state to downhill: application to λ-repressor. J Phys Chem B. 2013 Oct 31; 117 (43):13435-43. [Full Text/Abstract]
Best RB, Hummer G, Eaton WA. Native contacts determine protein folding mechanisms in atomistic simulations. Proc Natl Acad Sci U S A. 2013 Oct 29; 110 (44):17874-9. [Full Text/Abstract]
Henry ER, Best RB, Eaton WA. Comparing a simple theoretical model for protein folding with all-atom molecular dynamics simulations. Proc Natl Acad Sci U S A. 2013 Oct 29; 110 (44):17880-5. [Full Text/Abstract]
Best RB. How well does a funneled energy landscape capture the folding mechanism of spectrin domains?. J Phys Chem B. 2013 Oct 24; 117 (42):13235-44. [Full Text/Abstract]
Cope SM, Shinde S, Best RB, Ghirlanda G, Vaiana SM. Cyclic N-terminal loop of amylin forms non amyloid fibers. Biophys J. 2013 Oct 1; 105 (7):1661-9. [Full Text/Abstract]
Palomaki GE, Knight GJ, Ashwood ER, Best RG, Haddow JE. Screening for down syndrome in the United States: results of surveys in 2011 and 2012. Arch Pathol Lab Med. 2013 Jul; 137 (7):921-6. [Full Text/Abstract]
Baker CM, Best RB. Matching of additive and polarizable force fields for multiscale condensed phase simulations. J Chem Theory Comput. 2013 Jun 11; 9 (6):2826-2837. [Full Text/Abstract]
Best RB. A "slow" protein folds quickly in the end. Proc Natl Acad Sci U S A. 2013 Apr 9; 110 (15):5744-5. [Full Text/Abstract]
Shim J, Zhu X, Best RB, MacKerell AD Jr. (Ala)(4)-X-(Ala)4 as a model system for the optimization of the χ1 and χ2 amino acid side-chain dihedral empirical force field parameters. J Comput Chem. 2013 Mar 15; 34 (7):593-603. [Full Text/Abstract]
Sirur A, Best RB. Effects of interactions with the GroEL cavity on protein folding rates. Biophys J. 2013 Mar 5; 104 (5):1098-106. [Full Text/Abstract]
Ross LF, Saal HM, David KL, Anderson RR, American Academy of Pediatrics, American College of Medical Genetics and Genomics. Technical report: Ethical and policy issues in genetic testing and screening of children. Genet Med. 2013 Mar; 15 (3):234-45. [Full Text/Abstract]
McMahon DM, Liu J, Zhang H, Torres ME, Best RG. Maternal obesity, folate intake, and neural tube defects in offspring. Birth Defects Res A Clin Mol Teratol. 2013 Feb; 97 (2):115-22. [Full Text/Abstract]
Shi Y, Xia Z, Zhang J, Best R, Wu C, Ponder JW, Ren P. The Polarizable Atomic Multipole-based AMOEBA Force Field for Proteins. J Chem Theory Comput. 2013; 9 (9):4046-4063. [Full Text/Abstract]
Tan YS, Śledź P, Lang S, Stubbs CJ, Spring DR, Abell C, Best RB. Using ligand-mapping simulations to design a ligand selectively targeting a cryptic surface pocket of polo-like kinase 1. Angew Chem Int Ed Engl. 2012 Oct 1; 51 (40):10078-81. [Full Text/Abstract]
Best RB, Zhu X, Shim J, Lopes PE, Mittal J, Feig M, Mackerell AD Jr. 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. J Chem Theory Comput. 2012 Sep 11; 8 (9):3257-3273. [Full Text/Abstract]
Best RB, Mittal J, Feig M, MacKerell AD Jr. Inclusion of many-body effects in the additive CHARMM protein CMAP potential results in enhanced cooperativity of α-helix and β-hairpin formation. Biophys J. 2012 Sep 5; 103 (5):1045-51. [Full Text/Abstract]
Bhattacharya A, Best RB, Mittal J. Smoothing of the GB1 hairpin folding landscape by interfacial confinement. Biophys J. 2012 Aug 8; 103 (3):596-600. [Full Text/Abstract]
Kührová P, De Simone A, Otyepka M, Best RB. Force-field dependence of chignolin folding and misfolding: comparison with experiment and redesign. Biophys J. 2012 Apr 18; 102 (8):1897-906. [Full Text/Abstract]
Schulz JC, Schmidt L, Best RB, Dzubiella J, Netz RR. Peptide chain dynamics in light and heavy water: zooming in on internal friction. J Am Chem Soc. 2012 Apr 11; 134 (14):6273-9. [Full Text/Abstract]
Best RB, de Sancho D, Mittal J. Residue-specific α-helix propensities from molecular simulation. Biophys J. 2012 Mar 21; 102 (6):1462-7. [Full Text/Abstract]
Best RB. Atomistic molecular simulations of protein folding. Curr Opin Struct Biol. 2012 Feb; 22 (1):52-61. [Full Text/Abstract]
De Sancho D, Best RB. Modulation of an IDP binding mechanism and rates by helix propensity and non-native interactions: association of HIF1α with CBP. Mol Biosyst. 2012 Jan; 8 (1):256-67. [Full Text/Abstract]