Issue Date | Title | Author(s) | Relation | scopus | WOS | Fulltext/Archive link |
---|---|---|---|---|---|---|
2022 | A curvilinear-path umbrella sampling approach to characterizing the interactions between rapamycin and three FKBP12 variants | Dhananjay C. Joshi; Charlie Gosse; Shu-Yu Huang; Jung-Hsin Lin | FRONTIERS IN MOLECULAR BIOSCIENCES 9, 879000 | |||
2019 | Delineating protein-protein curvilinear dissociation pathways and energetics with naïve multiple-walker umbrella sampling simulations | Dhananjay C. Joshi; Jung-Hsin Lin | JOURNAL OF COMPUTATIONAL CHEMISTRY 40(17), 1652-1663 | |||
2020 | Investigating the Role of Interfacial Waters in Protein-Protein Recognition Mechanism | Dhananjay C. Joshi; Jung-Hsin Lin |