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#12024-07-04 18:54:05
- saeed_E
- Member
- Registered: 2019-12-21
- Posts: 237
IGM and BCP
Dear Tian,
Please let me ask you a short question:
Is it true to state that 3-D isosurfaces of IGM/IGMH/NCI are ALWAYS emerge at the BCPs position? In other words, are BCPs always found at the center of disks corresponding to IGM/IGMH/NCI 3-D isosurfaces?
Sincerely,
Saeed
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#22024-07-04 23:00:06
Re: IGM and BCP
Dear Saeed,
A BCP must be enclosed by a RDG or IRI isosurface, see discussion in my original paper of IRI: J Comput Chem. 2022;43:539–555.
BCPs are often very close to center of IGMH isosurfaces, but not necessarily be enclosed by IGMH isosurfaces.
Tian
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#32024-07-04 23:11:27
- saeed_E
- Member
- Registered: 2019-12-21
- Posts: 237
Re: IGM and BCP
Dear Tian,
Your highly informative and professional comments are extremely appreciated.
Sincerely,
Saeed
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