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Biological and Medicinal Chemistry

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Theoretical and Computational Chemistry

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WaterMap

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2 results in Keywords: WaterMap

Theoretical and Computational Chemistry

In silico Evaluation of the Thr58-associated Conserved Water with KRAS Switch-II Pocket Binders

Renne Leini, Tatu Pantsar

Version 1 posted 22 November 2022

672

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Theoretical and Computational Chemistry

Binding modes of the KRAS(G12C) inhibitors GDC-6036 and LY3537982 revealed by all atom molecular dynamics simulations

Renne Leini, Kari Kopra, Tatu Pantsar

Version 1 posted 12 September 2023

538

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