Research output per year
Research output per year
- 21 results
Search results
-
2024
Electrostatic interactions define nacubactam potency against OXA-48-like β-lactamases
Hoff, J. F., Goudar, K. E., Beer, M., Hinchliffe, P., Shaw, J. M., Tooke, C. L., Takebayashi, Y., Mulholland, A. J., Schofield, C. J. & Spencer, J., 30 Oct 2024, bioRxiv.org.Research output: Working paper › Preprint
Open Access -
2018
Intraring allostery controls the function and assembly of a hetero-oligomeric class II chaperonin
Shoemark, D., Sessions, R., Brancaccio, A. & Bigotti, M. G., Apr 2018, In: FASEB Journal. 32, 4, p. 2223-2234 12 p., fj.201701061R.Research output: Contribution to journal › Article (Academic Journal) › peer-review
File350 Downloads (Pure) -
2017
A monodisperse transmembrane α-helical peptide barrel
Mahendran, K. R., Niitsu, A., Kong, L., Thomson, D., Sessions, R., Woolfson, D. & Bayley, H., May 2017, In: Nature Chemistry. 9, 5, p. 411–419 9 p.Research output: Contribution to journal › Article (Academic Journal) › peer-review
Open AccessFile90 Citations (Scopus)460 Downloads (Pure) -
Decorating Self-Assembled Peptide Cages with Proteins
Ross, J. F., Bridges, A., Fletcher, J. M., Shoemark, D., Alibhai, D., Bray, H. E. V., Beesley, J. L., Dawson, W. M., Hodgson, L. R., Mantell, J., Verkade, P., Edge, C. M., Sessions, R. B., Tew, D. & Woolfson, D. N., 22 Aug 2017, In: ACS Nano. 11, 8, p. 7901-7914 14 p.Research output: Contribution to journal › Article (Academic Journal) › peer-review
Open AccessFile54 Citations (Scopus)817 Downloads (Pure) -
Engineering protein stability with atomic precision in a monomeric miniprotein
Baker, E., Williams, C., Hudson, K., Bartlett, G., Heal, J., Porter Goff, K., Sessions, R., Crump, M. & Woolfson, D., 1 Jul 2017, In: Nature Chemical Biology. 13, 7, p. 764-770 7 p.Research output: Contribution to journal › Article (Academic Journal) › peer-review
Open AccessFile44 Citations (Scopus)549 Downloads (Pure) -
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, , 6 Jan 2017, In: Scientific Reports. 7, 10 p., 39392 .Research output: Contribution to journal › Article (Academic Journal) › peer-review
Open AccessFile115 Citations (Scopus)344 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 AccessFile11 Citations (Scopus)403 Downloads (Pure) -
2016
Protein translocation: what’s the problem?
Corey, R. A., Allen, W. J. & Collinson, I. R., Jun 2016, In: Biochemical Society Transactions. 44, 3, p. 753-759 7 p.Research output: Contribution to journal › Article (Academic Journal) › peer-review
Open AccessFile13 Citations (Scopus)1229 Downloads (Pure) -
Structural Characterization of Arginine Fingers: Identification of an Arginine Finger for the Pyrophosphatase dUTPases
Nagy, G. N., Suardíaz, R., Lopata, A., Ozohanics, O., Vékey, K., Brooks, B. R., Leveles, I., Tóth, J., Vértessy, B. G. & Rosta, E., 16 Nov 2016, In: Journal of the American Chemical Society. 138, 45, p. 15035-15045 11 p.Research output: Contribution to journal › Article (Academic Journal) › peer-review
Open AccessFile31 Citations (Scopus)386 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 AccessFile137 Citations (Scopus)966 Downloads (Pure) -
Two-way communication between SecY and SecA suggests a Brownian ratchet mechanism for protein translocation
Allen, W., Corey, R., Oatley, P., Sessions, R., Baldwin, S. A., Radford, S. E., Tuma, R. & Collinson, I., 14 Jun 2016, In: eLife. 5, 23 p., e15598.Research output: Contribution to journal › Article (Academic Journal) › peer-review
Open AccessFile87 Citations (Scopus)1380 Downloads (Pure) -
Understanding the Mechanism of the Hydrogen Abstraction from Arachidonic Acid Catalyzed by the Human Enzyme 15-Lipoxygenase-2. A Quantum Mechanics/Molecular Mechanics Free Energy Simulation
Suardíaz, R., Jambrina, P. G., Masgrau, L., González-Lafont, À., Rosta, E. & Lluch, J. M., 26 Feb 2016, In: Journal of Chemical Theory and Computation. 12, 4, p. 2079-2090 12 p.Research output: Contribution to journal › Article (Academic Journal) › peer-review
34 Citations (Scopus) -
Unlocking the bacterial SecY translocon
Corey, R. A., Allen, W. J., Komar, J., Masiulis, S., Menzies, S., Robson, A. & Collinson, I. R., 10 Mar 2016, In: Structure. 24, p. 1-10 10 p.Research output: Contribution to journal › Article (Academic Journal) › peer-review
Open AccessFile27 Citations (Scopus)1358 Downloads (Pure) -
2015
In pursuit of an accurate spatial and temporal model of biomolecules at the atomistic level: a perspective on computer simulation
Gray, A., Harlen, O. G., Harris, S. A., Khalid, S., Leung, Y. M., Lonsdale, R., Mulholland, A. J., Pearson, A. R., Read, D. J. & Richardson, R. A., 1 Jan 2015, In: Acta Crystallographica Section D: Biological Crystallography. D71, 1, p. 162-172 11 p.Research output: Contribution to journal › Article (Academic Journal) › peer-review
Open AccessFile9 Citations (Scopus)313 Downloads (Pure) -
Interaction of the Antimicrobial Peptide Polymyxin B1 with Both Membranes of E. coli: A Molecular Dynamics Study
Berglund, N. A., Piggot, T. J., Jefferies, D., Sessions, R. B., Bond, P. J. & Khalid, S., 17 Apr 2015, In: PLoS Computational Biology. 11, 4, 17 p., e1004180.Research output: Contribution to journal › Article (Academic Journal) › peer-review
Open AccessFile151 Citations (Scopus)328 Downloads (Pure) -
Supramolecular assemblies underpin turnover of outer membrane proteins in bacteria
Rassam, P., Copeland, N. A., Birkholz, O., Tóth, C., Chavent, M., Duncan, A. L., Cross, S. J., Housden, N. G., Kaminska, R., Seger, U., Quinn, D. M., Garrod, T. J., Sansom, M. S. P., Piehler, J., Baumann, C. G. & Kleanthous, C., 16 Jul 2015, In: Nature. 523, 7560, p. 333-6 4 p.Research output: Contribution to journal › Article (Academic Journal) › peer-review
163 Citations (Scopus) -
2014
A Multiscale Approach to Modelling Drug Metabolism by Membrane-Bound Cytochrome P450 Enzymes
Lonsdale, R., Rouse, S. L., Sansom, M. S. P. & Mulholland, A. J., 17 Jul 2014, In: PLoS Computational Biology. 10, 7, e1003714.Research output: Contribution to journal › Article (Academic Journal) › peer-review
45 Citations (Scopus) -
Molecular dynamics simulations reveal a dielectric-responsive coronal structure in protein-polymer surfactant hybrid nanoconstructs
Brogan, A. P. S., Sessions, R. B., Perriman, A. W. & Mann, S., 3 Dec 2014, In: Journal of the American Chemical Society. 136, 48, p. 16824-16831 8 p.Research output: Contribution to journal › Article (Academic Journal) › peer-review
41 Citations (Scopus) -
QM/MM modelling of drug-metabolizing enzymes
Lonsdale, R. & Mulholland, A. J., 2014, In: Current Topics in Medicinal Chemistry. 14, 11, p. 1339-1347 9 p.Research output: Contribution to journal › Article (Academic Journal) › peer-review
23 Citations (Scopus) -
Rapid decomposition and visualisation of protein-ligand binding free energies by residue and by water
Woods, C. J., Malaisree, M., Michel, J., Long, B., McIntosh-Smith, S. & Mulholland, A. J., 1 Jan 2014, In: Faraday Discussions. 169, p. 477-499 23 p.Research output: Contribution to journal › Article (Academic Journal) › peer-review
83 Citations (Scopus) -
2013
QM/MM modelling of ketosteroid isomerase reactivity indicates that active site closure is integral to catalysis
van der Kamp, M. W., Chaudret, R. & Mulholland, A. J., Jul 2013, In: FEBS Journal. 280, 13, p. 3120-3131 12 p.Research output: Contribution to journal › Article (Academic Journal) › peer-review
31 Citations (Scopus)