Published April 17, 2024
| Version v1
Dataset
Open
How can CotB2V80L alter the product profile? Supporting Information
Description
Docking results, electrostatic maps and volume calculation.
CHARMM scripts for electrostatic calculation and python scripts for Monte Carlo integration on pocket volume and assement of extra volume.
Files
Files
(24.9 MB)
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md5:954ffb77810b6a78c42a98994787a455
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402.8 kB | Download |
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md5:1538946fb40b1825791c81771b5a5d4d
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495.1 kB | Download |
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md5:0ce08825aebdb3e8b19c6b51a126471d
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495.1 kB | Download |
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md5:aad4ad0362480bc5f0c9d6b247f5091a
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7.4 MB | Download |
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md5:ec1a650c183117941c91e25429608f7d
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5.4 MB | Download |
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md5:3a4b146438cb48352f72cbbed7c2b794
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518.2 kB | Download |
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md5:c6b5569401ac2f9c6f494bcb19a7619e
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518.2 kB | Download |
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md5:a20907ba81ed06639a62aea0bca5b08b
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4.4 kB | Download |
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md5:28d776c4ca49271a800b34a8200dff3c
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9.7 MB | Download |
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md5:4355308bd3a1cc6aeeb3d685507cbf30
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10.6 kB | Download |
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md5:4d055cf8492d530923c776feba816001
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10.6 kB | Download |
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md5:a0149af515d1c07b99e37a9c8ce31e99
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1.2 kB | Download |