July 15, 2024 article PyDFT-QMMM: A modular, extensible software framework for DFT-based QM/MM molecular dynamics The Journal of Chemical Physics DOI: 10.1063/5.0219851 OpenAlex Authors 0 Author list not loaded yet. Cited by 0 stored of 13 References 3 Search Sort Most cited Newest Oldest Patent citations Title Any typearticle review book-chapter conference-paper preprint dissertation book dataset other Any fieldAgricultural and Biological Sciences Arts and Humanities Biochemistry, Genetics and Molecular Biology Business, Management and Accounting Chemical Engineering Chemistry Computer Science Decision Sciences Dentistry Earth and Planetary Sciences Economics, Econometrics and Finance Energy Engineering Environmental Science Health Professions Immunology and Microbiology Materials Science Mathematics Medicine Neuroscience Nursing Pharmacology, Toxicology and Pharmaceutics Physics and Astronomy Psychology Social Sciences Veterinary Open access Drug Design in the Exascale Era: A Perspective from Massively Parallel QM/MM Simulations 2023 Journal of Chemical Information and Modeling article Physics and Astronomy Advanced Chemical Physics Studies Open access 58 citations MiMiC: A high-performance framework for multiscale molecular dynamics simulations 2024 The Journal of Chemical Physics article Physics and Astronomy Advanced Chemical Physics Studies Open access 12 citations MiMiCPy: An Efficient Toolkit for MiMiC-Based QM/MM Simulations 2023 Journal of Chemical Information and Modeling article Physics and Astronomy Advanced Chemical Physics Studies Open access 11 citations 3 results