☰

Patrick G. Blachly, Ph.D. - Publications

Affiliations: 
2014 Chemistry University of California, San Diego, La Jolla, CA 
Area:
Molecular Chemistry, Biochemistry
Tree Info Similar researchers PubMed Report error

9 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2015 Kim MO, Blachly PG, McCammon JA. Conformational Dynamics and Binding Free Energies of Inhibitors of BACE-1: From the Perspective of Protonation Equilibria. Plos Computational Biology. 11: e1004341. PMID 26506513 DOI: 10.1371/Journal.Pcbi.1004341  0.57
2015 Blachly PG, Sandala GM, Giammona DA, Bashford D, McCammon JA, Noodleman L. Broken-Symmetry DFT Computations for the Reaction Pathway of IspH, an Iron-Sulfur Enzyme in Pathogenic Bacteria. Inorganic Chemistry. 54: 6439-61. PMID 26098647 DOI: 10.1021/Acs.Inorgchem.5B00751  0.457
2015 Kim MO, Blachly PG, Kaus JW, McCammon JA. Protocols utilizing constant pH molecular dynamics to compute pH-dependent binding free energies. The Journal of Physical Chemistry. B. 119: 861-72. PMID 25134690 DOI: 10.1021/Jp505777N  0.545
2014 Blachly PG, Sandala GM, Giammona DA, Liu T, Bashford D, McCammon JA, Noodleman L. 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. PMID 25221444 DOI: 10.1021/Ct5005214  0.485
2014 Martin DP, Blachly PG, McCammon JA, Cohen SM. Exploring the influence of the protein environment on metal-binding pharmacophores. Journal of Medicinal Chemistry. 57: 7126-35. PMID 25116076 DOI: 10.1021/Jm500984B  0.49
2014 Martin DP, Blachly PG, Marts AR, Woodruff TM, de Oliveira CA, McCammon JA, Tierney DL, Cohen SM. 'Unconventional' coordination chemistry by metal chelating fragments in a metalloprotein active site. Journal of the American Chemical Society. 136: 5400-6. PMID 24635441 DOI: 10.1021/Ja500616M  0.471
2013 Blachly PG, de Oliveira CA, Williams SL, McCammon JA. Utilizing a dynamical description of IspH to aid in the development of novel antimicrobial drugs. Plos Computational Biology. 9: e1003395. PMID 24367248 DOI: 10.1371/Journal.Pcbi.1003395  0.518
2012 Blachly PG, Kaus JW, McCammon JA. Improving the Performance of Constant pH Molecular Dynamics with Generalized Born Electrostatics Biophysical Journal. 102: 452a. DOI: 10.1016/J.Bpj.2011.11.2481  0.508
2011 Williams SL, Blachly PG, McCammon JA. Measuring the successes and deficiencies of constant pH molecular dynamics: a blind prediction study. Proteins. 79: 3381-8. PMID 22072520 DOI: 10.1002/Prot.23136  0.451
Show low-probability matches.