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Theoretical and Computational Chemistry

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hotspot analysis

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2 results in Keywords: hotspot analysis

Theoretical and Computational Chemistry

Predicting Fragment Binding Modes Using Customized Lennard-Jones Potentials in Short Molecular Dynamics Simulations

Christopher Vorreiter, Dina Robaa, Wolfgang Sippl

Version 1 posted 06 November 2024

97

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Theoretical and Computational Chemistry

Molecular basis of the CYFIP2 and NCKAP1 autism-linked variants in the WAVE regulatory complex

Song Xie, Ke Zuo, Silvia De Rubeis, Paolo Ruggerone, Paolo Carloni

Version 1 posted 24 September 2024

34

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