Tags » 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.  6 more words

Molecular Dynamics

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.      33 more words

Molecular Dynamics

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

Molecular Dynamics

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

Molecular Dynamics

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

Molecular Dynamics

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

Molecular Dynamics

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

Molecular Dynamics