BiophysicsbioRxiv
Representation of Protein Dynamics Disentangled by Time-structure-based Prior
Tsuyoshi Ishizone, Yasuhiro Matsunaga, Sotaro Fuchigami, Kazuyuki Nakamura
The paper introduces two methods with a time-structure-based prior to disentangle protein dynamics from MD simulations, improving the representation of conformational transitions.
DOI 10.1021/acs.jctc.3c01025