QM/MM simulations predict a covalent intermediate in the hen egg white lysozyme reaction with its natural substrate AL Bowman, IM Grant, AJ Mulholland Chemical communications, 4425-4427, 2008 | 70 | 2008 |
Quantum free energy landscapes from ab initio path integral metadynamics: Double proton transfer in the formic acid dimer is concerted but not correlated SD Ivanov, IM Grant, D Marx The Journal of Chemical Physics 143 (12), 2015 | 47 | 2015 |
Molecular asymmetry in the 8-cell stage Xenopus tropicalis embryo described by single blastomere transcript sequencing E De Domenico, NDL Owens, IM Grant, R Gomes-Faria, MJ Gilchrist Developmental biology 408 (2), 252-268, 2015 | 41 | 2015 |
The Xenopus ORFeome: a resource that enables functional genomics IM Grant, D Balcha, T Hao, Y Shen, P Trivedi, I Patrushev, JD Fortriede, ... Developmental Biology 408 (2), 345-357, 2015 | 32 | 2015 |
Quantum mechanics/molecular mechanics simulations show saccharide distortion is required for reaction in hen egg-white lysozyme MAL Limb, RS Del Rio, IM Grant, A Mulholland Chemistry-A European Journal 25 (3), 764-768, 2019 | 6 | 2019 |
Moving from development to implementation of digital innovations within the NHS: myHealthE, a remote monitoring system for tracking patient outcomes in child and adolescent … AC Morris, Z Ibrahim, OS Moghraby, A Stringaris, IM Grant, L Zalewski, ... Digital Health 9, 20552076231211551, 2023 | 5 | 2023 |
Assessing the feasibility of a web‐based outcome measurement system in child and adolescent mental health services–myHealthE a randomised controlled feasibility pilot study AC Morris, Z Ibrahim, M Heslin, OS Moghraby, A Stringaris, IM Grant, ... Child and Adolescent Mental Health 28 (1), 128-147, 2023 | 3 | 2023 |
Computational Enzymology: Insights into Enzyme Mechanism and Catalysis from Modelling AJ Mulholland, IM Grant Molecular Materials with Specific Interactions–Modeling and Design, 275-304, 2007 | 1 | 2007 |
The Setup O Gränd JMS Books LLC, 2022 | | 2022 |
Nuclear quantum effects in bacteriorhodopsin IM Grant, SD Ivanov, M Baer, G Mathias, D Marx Biochemical Society Annual Symposium: Frontiers in Biological Catalysis, 2012 | | 2012 |
Conformation and Catalysis in Lysozyme. A computational study IM Grant University of Bristol, 2009 | | 2009 |
Supplementary information for ‘QM/MM simulations predict a covalent intermediate in the hen egg white lysozyme reaction with its natural substrate’ AL Bowman, IM Grant, AJ Mulholland | | |