I want to calculate thermodynamic paremeter enthalpy change of cellulase, but I don't know what software can do this work. Please tell me, thank you very much !
Is there a software or web server to calculate thermodynamic parameter enthalpy change of cellulase?
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1$\begingroup$ Hi and welcome to the site! Please edit your question and clarify what exactly you mean by "thermodynamic paremeter". A thermodynamic parameter for what? And what parameter? Also, you have tagged this with 5 tags, are they really relevant to your question? What is the connection with structural variation for instance? $\endgroup$– terdon ♦Commented Jun 8, 2017 at 15:49
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$\begingroup$ Enthalpy, how to calculate this by a software or a web server ? Thank you! $\endgroup$– user239932Commented Jun 8, 2017 at 16:00
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2$\begingroup$ Again, the enthalpy of what? A folded RNA structure? The enthalpy of a chemical reaction? Please edit your question and clarify what you need. $\endgroup$– terdon ♦Commented Jun 8, 2017 at 16:09
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1$\begingroup$ 1) This looks more like computational chemistry. Not sure if we have experts here to answer this question. 2) Perhaps it will help if you clarify what kind of change; e.g. you can find enthalpy of formation and enthalpy of combustion in wikipedia $\endgroup$– Iakov DavydovCommented Jun 8, 2017 at 18:12
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2$\begingroup$ I'm against closing this question as off topic. Yes, it's borderline, but it involves computation and enzyme structure, and I'd hate to give people working at the interface of biochemistry/biophysics and structural protein/RNA informatics the impression that their questions are not welcome here. That said, the question is unclear. If the question is closed, this should be the reason. $\endgroup$– Daniel StandageCommented Jun 8, 2017 at 21:20
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1 Answer
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You could use PISA assuming you have a PDB file of cellulase? Sorry it's a short answer and should be a comment, I don't have the reputation, however.
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$\begingroup$ Thank you for your answer, I will try it. What about YASARA＋FoldX ? $\endgroup$ Commented Jun 17, 2017 at 14:06