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CHARMM-GUI Ligand Reader & Modeler for CHARMM Force Field Generation of Small Molecules

Reading ligand structures into any simulation program is often nontrivial and time consuming, especially when the force field parameters and/or structure files of the corresponding molecules are not available. To address this problem, we have developed Ligand Reader & Modeler in CHARMM-GUI. User...

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Shranjeno v:
Bibliografske podrobnosti
izdano v:J Comput Chem
Main Authors: Kim, Seonghoon, Lee, Jumin, Jo, Sunhwan, Brooks, Charles L., Lee, Hui Sun, Im, Wonpil
Format: Artigo
Jezik:Inglês
Izdano: 2017
Teme:
Online dostop:https://ncbi.nlm.nih.gov/pmc/articles/PMC5488718/
https://ncbi.nlm.nih.gov/pubmed/28497616
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1002/jcc.24829
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