Enzyme evolution, engineering and design: mechanism and dynamics: general discussion
Year: 2024
Type: article
Source: Faraday Discussions
DOI: 10.1039/d4fd90022g
Authors: Carlos Acevedo-Rocha, Lukasz Berlicki, Uwe T. Bornscheuer, Dominic J. Campopiano, Pimchai Chaiyen, Janko Čivić, Zhiqi Cong, Friedrich Johannes Ehinger, Sabine Flitsch, Artur Góra, Marko Hanzevacki, Jeremy N. Harvey, Donald Hilvert, Florian Hollfelder, Amanda G. Jarvis, Bruce R. Lichtenstein, Stefan Lutz, Thomas Malcomson, E. Neil G. Marsh, Neil R. McFarlane, Alexander McKenzie, Adrian Mulholland, Sílvia Osuna, Joelle N. Pelletier, Agata Raczyńska, Gerard Roelfes, Lubomír Rulíšek, Peter Stockinger, Nicholas Turner, Francesca Valetti, Marc Van der Kamp, Mikael Widersten, Cathleen Zeymer
Language: English
Subfield: Molecular Biology
Domain: Life Sciences
Open Access status: green
Awards: Computational tools for enzyme engineering: bridging the gap between enzymologists and expert simulation, BrisSynBio: Bristol Centre for Synthetic Biology, The UK High-End Computing Consortium for Biomolecular Simulation, Inquire: Software for real-time analysis of binding, Commercialisation of VR for biomolecular design, Predictive multiscale free energy simulations of hybrid transition metal catalysts, The UK High-End Computing Consortium for Biomolecular Simulation, CCP-BioSim: Biomolecular Simulation at the Life Sciences Interface, CCP-BioSim: Biomolecular simulation at the life sciences interface, Combined experimental and computational investigations of a nucleophilic displacement reaction with a hydride leaving group, Adaptive Multi-Resolution Massively-Multicore Hybrid Dynamics, Combined quantum mechanics/molecular mechanics (QM/MM) Monte Carlo free energy simulations: a feasibility study, Predicting drug-target binding kinetics through multiscale simulations, BEORHN: Bacterial Enzymatic Oxidation of Reactive Hydroxylamine in Nitrification via Combined Structural Biology and Molecular Simulation, Nicotinic Ligand Development to Target Smoking Cessation and Gain a Molecular Level Understanding of Partial Agonism, BristolBridge: Bridging the Gaps between the Engineering and Physical Sciences and Antimicrobial Resistance, Multiscale Ensemble Computing for Modelling Biological Catalysts, Computational biochemistry: predictive modelling for biology and medicine, The UK High-End Computing Consortium for Biomolecular Simulation
OpenAlex ID: W4401815466