共 50 条
- [21] Molecular quantum chemical data sets and databases for machine learning potentials MACHINE LEARNING-SCIENCE AND TECHNOLOGY, 2024, 5 (04):
- [22] Machine learning implicit solvation for molecular dynamics JOURNAL OF CHEMICAL PHYSICS, 2021, 155 (08):
- [26] Understanding the role of dynamics in the iron sulfur cluster molecular machine BIOCHIMICA ET BIOPHYSICA ACTA-GENERAL SUBJECTS, 2017, 1861 (01): : 3154 - 3163
- [27] Open Boundary Modeling in Molecular Dynamics with Machine Learning COMPUTATIONAL SCIENCE - ICCS 2020, PT VI, 2020, 12142 : 334 - 347
- [28] Machine learning and excited-state molecular dynamics MACHINE LEARNING-SCIENCE AND TECHNOLOGY, 2020, 1 (04):
- [29] Protein deamidation prediction with machine learning and molecular dynamics ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2016, 251