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Morgan Lawrenz, Ph.D. - Publications

Affiliations: 
2011 Chemistry University of California, San Diego, La Jolla, CA 
Area:
Analytical Chemistry, Computer Science
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6 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 Lawrenz M, Shukla D, Pande VS. Cloud computing approaches for prediction of ligand binding poses and pathways. Scientific Reports. 5: 7918. PMID 25608737 DOI: 10.1038/Srep07918  0.329
2012 Lawrenz M, Wereszczynski J, Ortiz-Sánchez JM, Nichols SE, McCammon JA. Thermodynamic integration to predict host-guest binding affinities. Journal of Computer-Aided Molecular Design. 26: 569-76. PMID 22350568 DOI: 10.1007/S10822-012-9542-5  0.401
2012 Lawrenz M, Baron R, Wang Y, McCammon JA. Independent-Trajectory Thermodynamic Integration: a practical guide to protein-drug binding free energy calculations using distributed computing. Methods in Molecular Biology (Clifton, N.J.). 819: 469-86. PMID 22183552 DOI: 10.1007/978-1-61779-465-0_27  0.435
2011 Lawrenz M, Baron R, Wang Y, McCammon JA. Effects of Biomolecular Flexibility on Alchemical Calculations of Absolute Binding Free Energies. Journal of Chemical Theory and Computation. 7: 2224-2232. PMID 21811708 DOI: 10.1021/Ct200230V  0.438
2010 Lawrenz M, Wereszczynski J, Amaro R, Walker R, Roitberg A, McCammon JA. Impact of calcium on N1 influenza neuraminidase dynamics and binding free energy Proteins: Structure, Function and Bioinformatics. 78: 2523-2532. PMID 20602360 DOI: 10.1002/Prot.22761  0.35
2009 Lawrenz M, Baron R, McCammon JA. Independent-Trajectories Thermodynamic-Integration Free-Energy Changes for Biomolecular Systems: Determinants of H5N1 Avian Influenza Virus Neuraminidase Inhibition by Peramivir. Journal of Chemical Theory and Computation. 5: 1106-1116. PMID 19461872 DOI: 10.1021/Ct800559D  0.428
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