Work

Combined Quantum Mechanics/Molecular Mechanics (QM/MM) Methods in Computational Enzymology

Year: 2013

Type: review

Source: Biochemistry

DOI: 10.1021/bi400215w

Authors: Marc W. van der Kamp, Adrian J. Mulholland

Institution: University of Bristol

Language: English

Topic: Advanced Chemical Physics Studies

Subfield: Atomic and Molecular Physics, and Optics

Field: Physics and Astronomy

Domain: Physical Sciences

Open Access status: closed

Funders: Engineering and Physical Sciences Research Council, Biotechnology and Biological Sciences Research Council, National Institute of General Medical Sciences

Awards: Inquire: Software for real-time analysis of binding, CCP-BioSim: Biomolecular simulation at the life sciences interface, G4799187780, Mechanisms of Enzyme Regulation by Viperin in the Cellular Antiviral Response, 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, 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: W2019555480

FWCI: 4.332

Cites: 242

Cited by: 642

Related to: 10