K. A. Ball, J. R. Johnson, M. K. Lewinski, J. Guatelli, E. Verschueren, N. J. Krogan, and M. P. Jacobson. “Non-degradative Ubiquitination of Protein Kinases”, PLoS Computational Biology, 12 (2016) e1004898. PMC4890936
Tag Archives: Molecular Dynamics
120.
L. X. Peng*, M. T. Hsu*, M. Bonomi, D. A. Agard, and M. P. Jacobson. “The free energy profile of tubulin straight-bent conformational changes, with implications for microtubule assembly and drug discovery”, PLoS Computational Biology, 10 (2014) e1003464. (* Joint first authors) Open Access PMC3916224
112.
C.-H. Choi, B. A. Webb, M. Chimenti, M. P. Jacobson, and D. L. Barber. “pH sensing by FAK-His58 regulates focal adhesion remodeling”, J. Cell. Biol., 202 (2013) 849-859. [Commentary: C. Lawson and D. D. Schlaepfer, “pHocal adhesion kinase regulation is on a FERM foundation”, J. Cell. Biol., 202 (2013) 833-836.] [Commentary: K. Legg, “Factoring pH into FAK phosphorylation”, Cell Migration Gateway.] [F1000] PMC3776353
111.
R. A. Aglietti, S. N. Floor, C. L. McClendon, M. P. Jacobson and J. D. Gross. “Active site conformational dynamics are coupled to catalysis in the mRNA decapping enzyme Dcp2”, Structure, 21 (2013) 1571-1580. Online PMC3769517
97.
C. L. McClendon, L. Hua, G. Barreiro, and M. P. Jacobson. “Comparing Conformational Ensembles Using the Kullback-Leibler Divergence Expansion”, Journal of Chemical Theory and Computation, 8 (2012) 2115-2126. Online Simtk PMC3538811
96.
P. Kumar, M. Chimenti, H. Pemble, O. Thompson, M. P. Jacobson, and T. Wittmann. “Multisite phosphorylation modulates CLASP-EB1 interactions by disrupting arginine-glutamate salt bridge networks”, Journal of Biological Chemistry, 287 (2012) 17050-17064. Online F1000 PMC3366819
89.
A. Narayanan, L. L. LeClaire, D. L. Barber, and M. P. Jacobson. “Phosphorylation of the Arp2 Subunit Relieves Auto-inhibitory Interactions for Arp2/3 Complex Activation”. PLoS Computational Biology, 7 (2011) e1002226. PMC3220268
84.
B. C. Cossins, M. P. Jacobson, and V. Guallar. “A new view of the bacterial cytosol environment.” PLoS Computational Biology, 7 (2011) e1002066. PMC3111478
81.
S. Wong, B. D. Sellers, and M. P. Jacobson. “Effects of Somatic Mutations on CDR Loop Flexibility During Affinity Maturation”, Proteins, 79 (2011) 821-829. Online
80.
F. Morcos, S. Chatterjee, C. L. McClendon, P. R. Brenner, R. Lopez-Rendon, J. Zintsmaster, M. Ercsey-Ravasz, C. R. Sweet, M. P. Jacobson, J. W. Peng, and J. A. Izaguirre. “Modeling the conformational ensembles of NMR relaxation dispersion: molecular dynamics study of slow functional motions in the Pin1-WW domain”. PLoS Computational Biology, 6 (2010) e1001015. PMC2996313
79.
T. Shimazu, M. D. Hirschey, L. Hua, B. Schwer, D. B. Lombard, Y. Li, J. Bunkenborg, F. W. Alt, M. P. Jacobson, and E. Verdin. “SIRT3 Deacetylates Mitochondrial 3-Hydroxy-3-Methylglutaryl CoA Synthase 2, Increases its Enzymatic Activity and Regulates Ketone Body Production”. Cell Metabolism, 12 (2010) 654-661. Online PMC3310379
72.
C. L. McClendon, G. Friedland, D. L. Mobley, H. Amirkhani, and M. P. Jacobson. “Quantifying Correlations Between Allosteric Sites in Thermodynamic Ensembles”, Journal of Chemical Theory and Computation, 5 (2009) 2486-2502. PMC2790287
66.
A. Narayanan and M. P. Jacobson. “Computational studies of protein regulation by post-translational phosphorylation”, Current Opinion in Structural Biology, 19 (2009) 156–163.
61.
C. Frantz, G. Barreiro, L. Dominguez, X. Chen, R. Eddy, J. Condeelis, M. J. S. Kelly, M. P. Jacobson and D. L. Barber. “Cofilin is a pH Sensor for Actin Free Barbed End Formation”. Journal of Cell Biology, 183 (2008) 865–879. [“In this issue”: “Cofilin activity is a total coincidence“, Journal of Cell Biology, 183 (2008) 753.] Online PMC2592832 F1000
59.
J. Srivastava, G. Barreiro, S. Groscurth, A. R. Gingras, B. T. Goult, D. R. Critchley, M. J. S. Kelly, M. P. Jacobson, and D. L. Barber. “Structural model and functional significance of pH-dependent talin-actin binding for focal adhesion remodeling”. PNAS, 105 (2008) 14436–14441. Online PMC2532973
51.
N. Huang and M. P. Jacobson. “New Physics-Based Methods for Studying Protein-Ligand Interactions”, Current Opinion in Drug Discovery & Development, 10 (2007) 325-331.
36.
I. Chorny, K. A. Dill, and M. P. Jacobson. “Surfaces Affect Ion Pairing”, Journal of Physical Chemistry B, 109 (2005) 24056–24060. Online