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Matthew J L Mills - Publications

Affiliations: 
University of Southern California, Los Angeles, CA, United States 
Area:
Computational & Theoretical Chemistry
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7 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
2017 Kohler AC, Mills MJ, Adams PD, Simmons BA, Sale KL. Structure of aryl O-demethylase offers molecular insight into a catalytic tyrosine-dependent mechanism. Proceedings of the National Academy of Sciences of the United States of America. PMID 28373573 DOI: 10.1073/Pnas.1619263114  0.319
2015 Schopf P, Mills MJ, Warshel A. The entropic contributions in vitamin B12 enzymes still reflect the electrostatic paradigm. Proceedings of the National Academy of Sciences of the United States of America. 112: 4328-33. PMID 25805820 DOI: 10.1073/Pnas.1503828112  0.584
2015 Ripoll JD, Mejía SM, Mills MJ, Villa AL. Understanding the azeotropic diethyl carbonate-water mixture by structural and energetic characterization of DEC(H2O)(n) heteroclusters. Journal of Molecular Modeling. 21: 93. PMID 25786831 DOI: 10.1007/S00894-015-2593-5  0.314
2015 Bora RP, Mills MJ, Frushicheva MP, Warshel A. On the challenge of exploring the evolutionary trajectory from phosphotriesterase to arylesterase using computer simulations. The Journal of Physical Chemistry. B. 119: 3434-45. PMID 25620270 DOI: 10.1021/Jp5124025  0.623
2014 Mills MJ, Popelier PL. Electrostatic Forces: Formulas for the First Derivatives of a Polarizable, Anisotropic Electrostatic Potential Energy Function Based on Machine Learning. Journal of Chemical Theory and Computation. 10: 3840-56. PMID 26588529 DOI: 10.1021/Ct500565G  0.303
2014 Frushicheva MP, Mills MJ, Schopf P, Singh MK, Prasad RB, Warshel A. Computer aided enzyme design and catalytic concepts. Current Opinion in Chemical Biology. 21: 56-62. PMID 24814389 DOI: 10.1016/J.Cbpa.2014.03.022  0.616
2014 Yuan Y, Mills MJ, Popelier PL. Multipolar electrostatics based on the Kriging machine learning method: an application to serine. Journal of Molecular Modeling. 20: 2172. PMID 24633774 DOI: 10.1007/S00894-014-2172-1  0.301
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