January 01, 2021 article Open access Deep learning the slow modes for rare events sampling IRIS UNIMORE (University of Modena and Reggio Emilia) DOI: 10.1073/pnas.2113533118 Full text (OA) OpenAlex Authors 0 Author list not loaded yet. Cited by 4 stored of 262 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 How exascale computing can shape drug design: A perspective from multiscale QM/MM molecular dynamics simulations and machine learning-aided enhanced sampling algorithms 2024 Current Opinion in Structural Biology review Computer Science Computational Drug Discovery Methods Open access 20 citations Effective data-driven collective variables for free energy calculations from metadynamics of paths 2024 PNAS Nexus article Biochemistry, Genetics and Molecular Biology Protein Structure and Dynamics Open access 11 citations Potential Application of Machine-Learning-Based Quantum Chemical Methods in Environmental Chemistry 2022 Environmental Science & Technology article Materials Science Machine Learning in Materials Science Open access 61 citations Towards design of drugs and delivery systems with the Martini coarse-grained model 2022 QRB Discovery article Biochemistry, Genetics and Molecular Biology Protein Structure and Dynamics Open access 43 citations 4 results References 0