Leveraging Molecular Mechanics With the uESE Continuum Solvation Model for Efficient Solvation Free Energy Prediction: Impact of Conformation and Extensive Validation

Fuente: Wiley Open Access
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Bibliographic Details
Main Authors: Andrew S. Paluch, Jeffrey G. Ethier, Vikas Varshney
Format: Artículo Open Access
Published: Wiley 2025
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