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This content will become publicly available on April 22, 2026

Title: COARSE-GRAINED MOLECULAR DYNAMICS SIMULATIONS OF SOFT MATTER RELEVANT TO THE PHARMACEUTICAL INDUSTRY
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.  more » « less
Award ID(s):
1654325 2118860
PAR ID:
10629609
Author(s) / Creator(s):
; ; ; ;
Publisher / Repository:
Elsevier
Date Published:
Format(s):
Medium: X
Institution:
Rutgers, The State University of New Jersey
Sponsoring Org:
National Science Foundation
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