CHARMM-GUI Polymer Builder for Modeling and Simulation of Synthetic Polymers

Molecular modeling and simulations are invaluable tools for polymer science and engineering, which predict physicochemical properties of polymers and provide molecular-level insight into the underlying mechanisms. However, building realistic polymer systems is challenging and requires considerable e...

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Bibliographic Details
Published in:J Chem Theory Comput
Main Authors: Choi, Yeol Kyo, Park, Sang-Jun, Park, Soohyung, Kim, Seonghoon, Kern, Nathan R., Lee, Jumin, Im, Wonpil
Format: Artigo
Language:Inglês
Published: 2021
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Article
Online Access:https://ncbi.nlm.nih.gov/pmc/articles/PMC8078172/
https://ncbi.nlm.nih.gov/pubmed/33797913
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acs.jctc.1c00169
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