Artificial, biomimetic and hybrid enzymes: general discussion
Year: 2024
Type: article
Abstract: Janko Čivić opened the discussion of the paper by Gerard Roelfes: On what methods is the tool Zymspot, which you used to predict mutation hotspots, based? Gerard Roelfes replied: It is a proprietary software, so I don't know the details. But generally speaking, it relies on bioin
Source: Faraday Discussions
DOI: 10.1039/d4fd90024c
Authors: Carlos Acevedo-Rocha, Amulyasai Bakshi, Uwe T. Bornscheuer, Dominic J. Campopiano, Janko Čivić, Ivana Drienovská, Friedrich Johannes Ehinger, Andrew Gomm, Artur Góra, Anthony P. Green, Marko Hanzevacki, Jeremy N. Harvey, Donald Hilvert, Meilan Huang, Amanda G. Jarvis, Shina Caroline Lynn Kamerlin, Bruce R. Lichtenstein, Louis Y. P. Luk, Stefan Lutz, E. Neil G. Marsh, Alexander McKenzie, Vicent Moliner, Adrian Mulholland, Sílvia Osuna, Joelle N. Pelletier, Agata Raczyńska, Aditya Gopalakrishna Rao, Guto G. Rhys, Gerard Roelfes, Lubomír Rulíšek, Peter Stockinger, Katarzyna Szleper, Sean Adeoti Thompson, Nicholas Turner, Marc Van der Kamp, Guangcai Xu, 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, BrisEngBio: From Synthetic to Engineering Biology at Bristol, 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, Scalable Production of Precisely Engineered Proteins Using an Expanded Genetic Code, 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: W4401826919