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Creators/Authors contains: "Patel, Het"

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  1. ; ; ; ; (, Journal of Physics: Condensed Matter)
    Abstract This review article discusses some common enhanced sampling methods in relation to the process of self-assembly of biomolecules. An introduction to self-assembly and its challenges is covered followed by a brief overview of the methods and analysis for replica-exchange molecular dynamics, umbrella sampling, metadynamics, and machine learning based techniques. Applications of select methods towards peptides, proteins, polymers, and nucleic acids are discussed. Finally, a short discussion of the future directions of some of these methods is provided. 
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    Free, publicly-accessible full text available July 23, 2026
  2. ; ; ; ; (, 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
  3. ; ; ; ; ; ; (, Springer Nature Singapore)
    Free, publicly-accessible full text available January 1, 2026