Morgan Lawrenz, Ph.D. - Publications
Affiliations: | 2011 | Chemistry | University of California, San Diego, La Jolla, CA |
Area:
Analytical Chemistry, Computer ScienceYear | Citation | Score | |||
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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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