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Are accurate computations of the 13C′ shielding feasible at the DFT level of theory? - Jorge A. Vila; Yelena A. Arnautova; Osvaldo A. Martin; Harold A. Scheraga (J. Comput. Chem., 2014)

Exploration of Cryptic Pockets Using Enhanced Sampling Along Normal Modes: A Case Study of KRAS G12D. - Neha Vithani; She Zhang; Jeffrey P. Thompson; Lara A. Patel; Alex Demidov; Junchao Xia; Alexander Balaeff; Ahmet Mentes; Yelena A. Arnautova; Anna Kohlmann; J. David Lawson; Anthony Nicholls; et al. (J. Chem. Inf. Model., 2024)