Adrian Mulholland
University of Bristol
H-index: 67
Europe-United Kingdom
Top articles of Adrian Mulholland
Title | Journal | Author(s) | Publication Date |
|---|---|---|---|
Dynamical Responses Predict a Distal Site that Modulates Activity in an Antibiotic Resistance Enzyme | bioRxiv | Michael Beer Ana Sofia F Oliveira Catherine L Tooke Philip Hinchliffe Angie Tsz Yan Li | 2024 |
Dynamic Behavior and Substrate Interactions of the Polymyxin Resistance Determinant MCR-1 Investigated by Extended Molecular Dynamics Simulations in the Membrane Environment | Emily Lythell Reynier Suardíaz Philip Hinchliffe Sofia Oliveira Marc van der Kamp | 2024/4/25 | |
Electric Fields Are a Key Determinant of Carbapenemase Activity in Class A β-Lactamases | ACS Catalysis | Hira Jabeen Michael Beer James Spencer Marc W van der Kamp H Adrian Bunzel | 2024/4/23 |
Cooperative Conformational Transitions Underpin the Activation Heat Capacity in the Temperature Dependence of Enzyme Catalysis | ACS catalysis | Emma J Walker Carlin J Hamill Rory Crean Michael S Connolly Annmaree K Warrender | 2024/3/8 |
Epistasis arises from shifting the rate-limiting step during enzyme evolution of a β-lactamase | Nature Catalysis | Christopher Fröhlich H Adrian Bunzel Karol Buda Adrian J Mulholland Marc W Van der Kamp | 2024/2/23 |
Sire: An Interoperability Engine for Prototyping Algorithms and Exchanging Information Between Molecular Simulation Programs | Christopher Woods Lester Hedges Adrian Mulholland Maturos Malaisree Paolo Tosco | 2024/1/30 | |
Diffusion Mechanisms and Preferential Dynamics of Promoter Molecules in ZSM-5 Zeolite | Josh Dunn Joe Crossley-Lewis Andrew McCluskey Fiona Jackson Corneliu Buda | 2024/4/29 | |
Free energy along drug-protein binding pathways interactively sampled in virtual reality | Scientific Reports | Helen M Deeks Kirill Zinovjev Jonathan Barnoud Adrian J Mulholland Marc W Van der Kamp | 2023/10/4 |
Modern Developments In Catalysis, Volume 2 | Graham J Hutchings Matthew G Davidson Richard CA Catlow Nicholas J Turner Christopher Hardacre | 2023/2/6 | |
Tautomer-specific deacylation and Ω-loop flexibility explain the carbapenem-hydrolyzing broad-spectrum activity of the KPC-2 β-lactamase | Journal of the American Chemical Society | Catherine L Tooke Philip Hinchliffe Michael Beer Kirill Zinovjev Charlotte K Colenso | 2023/3/27 |
Decrypting the languages of allostery in membrane-bound K-Ras4B using four complementary in silico approaches | bioRxiv | Matteo Castelli Filippo Marchetti Sílvia Osuna A Sofia F. Oliveira Adrian J Mulholland | 2023/7/14 |
In vitro generated antibodies guide thermostable ADDomer nanoparticle design for nasal vaccination and passive immunization against SARS-CoV-2 | Antibody therapeutics | Dora Buzas Adrian H Bunzel Oskar Staufer Emily J Milodowski Grace L Edmunds | 2023/10/1 |
Fluctuation Relations to Calculate Protein Redox Potentials from Molecular Dynamics Simulations | J. Chem. Theory Comput. | A. S. F. Oliveira J. Rubio C. E. M. Noble J. L. R. Anderson J. Anders | 2023/2/27 |
Substrate recognition and selectivity in SARS-CoV-2 main protease: Unveiling the role of subsite interactions through dynamical nonequilibrium molecular dynamics simulations | bioRxiv | HT Henry Chan A Sofia F Oliveira Adrian J Mulholland Christopher J Schofield Fernanda Duarte | 2023 |
Antibodies generatedin vitroandin vivoelucidate design of a thermostable ADDomer COVID-19 nasal nanoparticle vaccine | Dora Buzas Hans Adrian Bunzel Oskar Staufer Emily Milodowski Grace Edmonds | 2023/3/17 | |
Dynamical nonequilibrium molecular dynamics simulations identify allosteric sites and positions associated with drug resistance in the SARS-CoV-2 main protease | JACS Au | HT Henry Chan A Sofia F Oliveira Christopher J Schofield Adrian J Mulholland Fernanda Duarte | 2023/6/7 |
Enhancement by pyrazolones of colistin efficacy against mcr-1-expressing E. coli: an in silico and in vitro investigation | Journal of Computer-Aided Molecular Design | Chonnikan Hanpaibool Puey Ounjai Sirilata Yotphan Adrian J Mulholland James Spencer | 2023/10 |
Decrypting Allostery in Membrane-Bound K-Ras4B Using Complementary In Silico Approaches Based on Unbiased Molecular Dynamics Simulations | Journal of the American Chemical Society | Matteo Castelli Filippo Marchetti Sílvia Osuna A Sofia F. Oliveira Adrian J Mulholland | 2023/12/20 |
Electric fields determine carbapenemase activity in class A β-lactamases | bioRxiv | Hira Jabeen Michael Beer James Spencer Marc W van der Kamp H Adrian Bunzel | 2023 |
Science after Brexit: bright spots on the Horizon? | EMBO reports | Adrian J Mulholland Shina Caroline Lynn Kamerlin | 2023/6/5 |
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