"Exploration of Cryptic Pockets Using Enhanced Sampling Along Normal Modes: ..."

Neha Vithani et al. (2024)

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DOI: 10.1021/ACS.JCIM.4C01435

access: open

type: Journal Article

metadata version: 2025-03-03

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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, A. Geoffrey Skillman, David N. LeBard:
Exploration of Cryptic Pockets Using Enhanced Sampling Along Normal Modes: A Case Study of KRAS ^G12D. J. Chem. Inf. Model. 64(21): 8258-8273 (2024)

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