Efficient newton-raphson/singular value decomposition-based optimization scheme with dynamically updated critical condition number for rapid convergence of weighted histogram analy...

par Mukhopadhyay, Roma
Publié dans: Journal of computational chemistry (2020)

Discovery and Characterization of Halogenated Xanthene Inhibitors of DUSP5 as Potential Photodynamic Therapeutics

par Bongard, Robert D
Publié dans: Journal of photochemistry and photobiology. A, Chemistry (2019)

Computational design of S-nitrosothiol "click" reactions

par Talipov, Marat R
Publié dans: Journal of computational chemistry (2013)