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Multiplexed-replica exchange molecular dynamics method for protein folding simulation Rhee, Young Min; Pande, VS, BIOPHYSICAL JOURNAL, v.84, no.2, pp.775 - 786, 2003-02 |
PIGNet: a physics-informed deep learning model toward generalized drug-target interaction predictions Moon, Seokhyun; Zhung, Wonho; Yang, Soojung; Lim, Jaechang; Kim, Woo Youn, CHEMICAL SCIENCE, v.13, no.13, pp.3661 - 3673, 2022-04 |
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