COMBINED QUANTUM MECX

Mulholland, Adrian J (Principal Investigator)

Status	Finished
Effective start/end date	4/09/06 → 4/06/07

3 Article (Academic Journal)

Insights into the Mechanistic Basis of Plasmid-Mediated Colistin Resistance from the Crystal Structure of the Catalytic Domain of MCR-1
Hinchliffe, P., Yang, Q., Portal, E., Young, T., Li, H., Tooke, C., Mendes de Carvalho, M., Paterson, N., Brem, J., Ritivirool, P., Tansawai, U., Lei, L., Li, M., Shen, Z., Wang, Y., Schofield, C., Mulholland, A., Shen, J., Walsh, T., Fey, N. & 1 others, Spencer, J., 6 Jan 2017, In: Scientific Reports. 7, 10 p., 39392 .
Research output: Contribution to journal › Article (Academic Journal) › peer-review

Open Access
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62 Citations (Scopus)

246 Downloads (Pure)
Rapid estimation of catalytic efficiency by cumulative atomic multipole moments: application to ketosteroid isomerase mutants
Beker, W. L., Van der Kamp, M. W., Mulholland, A. J. & Sokalski, W. A., 14 Feb 2017, In: Journal of Chemical Theory and Computation. 13, 2, p. 945-955 11 p.
Research output: Contribution to journal › Article (Academic Journal) › peer-review

Open Access
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6 Citations (Scopus)

244 Downloads (Pure)
The Catalytic Mechanism of a Natural Diels-Alderase Revealed in Molecular Detail
Byrne, M. J., Lees, N. R., Han, L. C., Van Der Kamp, M. W., Mulholland, A. J., Stach, J. E. M., Willis, C. L. & Race, P. R., 18 May 2016, In: Journal of the American Chemical Society. 138, 19, p. 6095-6098 4 p.
Research output: Contribution to journal › Article (Academic Journal) › peer-review

Open Access
File
90 Citations (Scopus)

475 Downloads (Pure)