Posted by jkhwang
on Thursday, May 24 @ 10:07:06 CST (12035 reads)
Find an experimental work, besides ones mentioned during the class, that can be studied using FEP. Give details of your calculation procedures
Deadline: 5-31
Posted by jkhwang
on Thursday, May 24 @ 08:10:33 CST (10724 reads)
Free energy perturbation method is frequently used in calculating free energy change in biomolecular simulation of enzymatic reactions, ligand-protein binding, protein folding ...
Posted by jkhwang
on Thursday, April 26 @ 17:04:05 CST (5472 reads)
Study the InsightII tutorials:
Biopolymer
Homologous building
Discovery_3
Profile-3D
Find your own partners and form 4 groups. Each group designs its own project that should make use of all the modules that you learn from the tutorials. Your report should include
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