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Creators/Authors contains: "Singh, Rishabh K"

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  1. ; ; ; ; (, Elsevier)
    Soft materials are critical to the pharmaceutical industry for their role in formulations, delivery of active compounds or understanding relevant physiological processes. This chapter will focus on coarse-grained (CG) approaches and models that have been used in conjunction with the Molecular Dynamics (MD) simulation method to investigate soft materials of interest to various applications in pharmaceutical sciences. This chapter also discusses several examples of CG MD simulations used to scientifically probe molecules with different chemistries. 
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    Free, publicly-accessible full text available April 22, 2026