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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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| Pubblicato in: | J Comput Chem |
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| Autori principali: | , , , , , |
| Natura: | Artigo |
| Lingua: | Inglês |
| Pubblicazione: |
2017
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| Soggetti: | |
| Accesso online: | 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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