Patrick G. Blachly, Ph.D.

2014 Chemistry University of California, San Diego, La Jolla, CA 
Molecular Chemistry, Biochemistry
"Patrick Blachly"


Sign in to add mentor
J. Andrew McCammon grad student 2014 UCSD
 (Multiscale modeling of metalloproteins and protonation equilibria in biomolecular systems.)
BETA: Related publications


You can help our author matching system! If you notice any publications incorrectly attributed to this author, please sign in and mark matches as correct or incorrect.

Kim MO, Blachly PG, McCammon JA. (2015) Conformational Dynamics and Binding Free Energies of Inhibitors of BACE-1: From the Perspective of Protonation Equilibria. Plos Computational Biology. 11: e1004341
Blachly PG, Sandala GM, Giammona DA, et al. (2015) Broken-Symmetry DFT Computations for the Reaction Pathway of IspH, an Iron-Sulfur Enzyme in Pathogenic Bacteria. Inorganic Chemistry. 54: 6439-61
Kim MO, Blachly PG, Kaus JW, et al. (2015) Protocols utilizing constant pH molecular dynamics to compute pH-dependent binding free energies. The Journal of Physical Chemistry. B. 119: 861-72
Blachly PG, Sandala GM, Giammona DA, et al. (2014) Use of Broken-Symmetry Density Functional Theory To Characterize the IspH Oxidized State: Implications for IspH Mechanism and Inhibition. Journal of Chemical Theory and Computation. 10: 3871-3884
Martin DP, Blachly PG, McCammon JA, et al. (2014) Exploring the influence of the protein environment on metal-binding pharmacophores. Journal of Medicinal Chemistry. 57: 7126-35
Martin DP, Blachly PG, Marts AR, et al. (2014) 'Unconventional' coordination chemistry by metal chelating fragments in a metalloprotein active site. Journal of the American Chemical Society. 136: 5400-6
Blachly PG, de Oliveira CA, Williams SL, et al. (2013) Utilizing a dynamical description of IspH to aid in the development of novel antimicrobial drugs. Plos Computational Biology. 9: e1003395
Williams SL, Blachly PG, McCammon JA. (2011) Measuring the successes and deficiencies of constant pH molecular dynamics: a blind prediction study. Proteins. 79: 3381-8
See more...