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Biological and Medicinal Chemistry

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druggability

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2 results in Keywords: druggability

Biological and Medicinal Chemistry

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, A Geoffrey Skillman, David N. LeBard

Version 1 posted 05 August 2024

513

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Theoretical and Computational Chemistry

Correlation of binding site properties with chemistries used for generation of ultra-large virtual libraries.

Robert Song, Marc Nicklaus, Nadya Tarasova

Version 1 posted 13 April 2023

262

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