Published September 9, 2023
| Version v1
Dataset
Open
Complex I simulation data and analysis code
Authors/Creators
- 1. UCLA
- 2. Doheny Eye Institute
- 3. UT Austin
Description
NAMD simulation data and code used for analysis of WT and A52T Complex I:
all CoQH2 steered trajectories
all CoQ FEP trajectories
unconstrained CoQ trajectories used in figure 2b
Zipped files were renamed as (enclosing folder)--(name of zipped file). Enclose each set of zipped files in an appropriately name folder before unzipping.
Files
Files
(186.1 GB)
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md5:a6e081989b6cf058d144da0e837cf3b2
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6.6 kB | Download |
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md5:97fab82c422b89a678f995b834e7d16f
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2.4 GB | Download |
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md5:a8c34fe5de1599e7c46619a479021ca3
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2.4 GB | Download |
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md5:aee04e266d6e137b5ae1f95f272d0005
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2.4 GB | Download |
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md5:ea907c9055b6b21657910e84f3a83b7c
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md5:20ee2beddb109a126ef39084d13d74cc
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md5:c30cea7d8aa2d7ab63b9b58cb1b2eda6
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md5:78dec1f563ca348069915d6a3ec4be55
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2.4 GB | Download |
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md5:1dc77014f3c3a20d4746eb19455faa5f
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2.4 GB | Download |
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md5:f74bf9e22a03abadafe816b90ebbf573
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480 Bytes | Download |
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md5:33e4281c320bd4e86245955ade89da09
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476 Bytes | Download |
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md5:e2740a2293e21046ae100327c53cda49
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2.4 GB | Download |
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md5:aa3021c870872ea15d9fd82802914df9
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2.4 GB | Download |
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2.4 GB | Download |
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2.4 GB | Download |
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md5:844f1826fbb63eed8b06709f231f2718
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2.4 GB | Download |
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2.4 GB | Download |
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md5:b220634c4516a0dfea1aafc1d234056b
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2.4 GB | Download |
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md5:8604f6e69b60b9439aad29267275400d
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md5:7409f33ed7b915066a435a8c2195994c
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796 Bytes | Download |
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md5:f58a5d18698b85e13288a53be3ff2c19
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2.3 MB | Download |
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md5:dfe35994644ef9005a403160d165a51f
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2.3 MB | Download |
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md5:e3925e91593bfcc1364e267d1240d0b4
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353 Bytes | Download |
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md5:d3c2006d3b224940ba10b9947f422682
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1.9 GB | Download |
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1.9 GB | Download |
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md5:8bf84177a0cac66c33dd58c79c6a0eb6
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1.9 GB | Download |
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md5:47c8653fff4355e95149eb676dd07113
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1.9 GB | Download |
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md5:56a8d721ebd35a2f5b3dd69bd399ee38
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1.9 GB | Download |
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md5:b1bb116609e3d8aa2e1c121a81d4a2d2
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1.9 GB | Download |
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md5:e2cb1d69a8c5512eeb9375566820cdad
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1.9 GB | Download |
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md5:0d0e499374862067a6eca5ef0ad9728e
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1.9 GB | Download |
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1.9 GB | Download |
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md5:9d384f3a1e12854f666024804ca79405
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1.9 GB | Download |
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md5:7bce38daccf51c1f05ca8c813428e071
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1.9 GB | Download |
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md5:cb7ba70c50a2fed4a67ae20d31fb4a59
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1.9 GB | Download |
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md5:0b3bf841b573f1d6ffdb110a8f534136
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1.9 GB | Download |
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md5:d1a7f5002f337d7fba81ee155d944171
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1.9 GB | Download |
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md5:0cbbe6409898e11d3545cc807377f202
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1.9 GB | Download |
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md5:2df9c80b5f0d3bc91c42893340aeacbf
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1.9 GB | Download |
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md5:76e28cddbeef18ebea7d1020db1cc307
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1.9 GB | Download |
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md5:3b9e27f935bb434cf36418ca820e589b
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1.9 GB | Download |
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md5:f901d7d034f65b776d1dacc3037f7215
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1.9 GB | Download |
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md5:7d63a2693fd377df547a5b2bd801c3cb
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1.9 GB | Download |
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md5:23e21959c47cf57e8bcf94f67e923975
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796 Bytes | Download |
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md5:d7230a1a017766f85fc9fa545f4fac38
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2.3 MB | Download |
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2.3 MB | Download |
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md5:9962c3e8dd944d20cf6c766d000a05e0
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358 Bytes | Download |
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md5:996be3931dba313eb796b6763a296078
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2.3 MB | Download |
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md5:c73ac771f79171d805ec619c676ce0eb
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md5:c63628a3ead7df182ee9ce0596680e84
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355 Bytes | Download |
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md5:fc6cd8e43654e5c881d5d59aeee02a2a
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1.9 GB | Download |
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md5:08b14280ee929bf36b00029081b1311d
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1.9 GB | Download |
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md5:afb714a62c6a5af9b4bf8df7532519ea
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800 Bytes | Download |
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md5:6fecef658b59b8e4ca71ecb90cb87505
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2.3 MB | Download |
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md5:da5b49e372cd0969a9b3d2e77ea660c9
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2.3 MB | Download |
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md5:3c407aa9f08f388feb26ed56bf4013db
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347 Bytes | Download |
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md5:f08a973c068c9e0745fb0e46ad61670f
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1.9 GB | Download |
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md5:c765dccc0a5ac4850ba4e5b59bc7c8ba
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1.9 GB | Download |
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md5:c5c934e332034ad54f0cff4b2bef6a85
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1.9 GB | Download |
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md5:2f524664f8e43c4948370b86713d356c
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1.9 GB | Download |
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md5:595d29d992b23144fa38b719403bc785
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1.9 GB | Download |
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md5:6c8f3f5610d832dd9bebe0594e3fa993
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1.9 GB | Download |
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md5:3108e72a6e98090679cc0d98a9d8f931
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1.9 GB | Download |
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md5:d10b98b93aa3880fc27967584978fabe
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1.9 GB | Download |
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md5:c7dd64a1928c16145d4e533c91c750e8
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1.9 GB | Download |
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md5:5821177916c629308a3330397a3bc750
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1.9 GB | Download |
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md5:aaaa53626fdd598faed40230e2fa59ab
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1.9 GB | Download |
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md5:f0089a43a94083156ff10e1304769716
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1.9 GB | Download |
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md5:b0797fc4cab456e6311bb1540db5db38
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1.9 GB | Download |
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md5:7df3095cad1553893b3245d9c7ae5c1d
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1.9 GB | Download |
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md5:78094b4ea22a093e96d5c1aedac75e1d
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1.9 GB | Download |
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md5:b7054e95dbb75846adc407ca20e87517
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1.9 GB | Download |
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md5:e8622de3b07f725dc4115a7c8ffdf7cb
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1.9 GB | Download |
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md5:50a836edbdf72c08e2244afab80bc448
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1.9 GB | Download |
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md5:467677bbbd8f1bee7ce8ce50b4a97b3f
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1.9 GB | Download |
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md5:8ee88865e40258e4ac5be6afaeeb0601
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1.9 GB | Download |
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md5:dbc85ecde4efb4306293dbe63b746763
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809 Bytes | Download |
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md5:0f7b52a57b689f4a887f628d53409be4
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2.3 MB | Download |
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md5:137251b3b2e933ba8d2b923164854ca3
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md5:4defd7fc0e3a8a44a1889c48cd9b72c0
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352 Bytes | Download |
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md5:93a6eff951fb471302a78370aedcc830
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2.3 MB | Download |
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md5:a842bf0462153b3f59a9620b71e5ef2c
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352 Bytes | Download |
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md5:b95cb4dfcfe4338d7c5cf1f7b78e5d12
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1.9 GB | Download |
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md5:8154a6605b40b17b045685f946c0ae3f
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1.9 GB | Download |
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md5:14de1fb03fc7d56163abe2fdfc4e9db8
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2.4 GB | Download |
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md5:d1fea184e6484efa4f4430af8d550acd
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2.8 kB | Download |
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md5:fe8a73f61942893428ed4c484b961cc8
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md5:c77c81a245545729b54a9fa3f0c59dee
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md5:ba69062cdc83272a13016a950f92dea6
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md5:205fe0f4bcd5ff750da8815d810a39f8
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md5:192b21013bcf3037e2d5019cd0998daa
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md5:6a6d1b9d53157aa1e450d3ac77f696ec
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2.4 GB | Download |
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md5:ff91dfbbdd1b09a966f892e3e7a13f3c
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md5:a022c01de770755ce63a5a0773d980c7
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2.4 GB | Download |
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md5:a28da2399878fedc35630b95293cc36d
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2.4 GB | Download |
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md5:a07a15537523b842ce49a4832dae33f9
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501 Bytes | Download |
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md5:07c95126729781a5ee960e5f6049f6c8
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493 Bytes | Download |
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md5:9bc9a0e7925c94fa85bc16c63d9862c3
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2.4 GB | Download |
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md5:43f3e53808e82f48ec375df1a80284c7
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2.4 GB | Download |
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md5:328e6150c95b82cfb4c2f4477e475b59
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2.4 GB | Download |
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2.4 GB | Download |
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2.3 GB | Download |
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md5:21f45375b82f9fc05004942f41156ad4
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2.4 GB | Download |
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md5:1f400a87457110b646874f2b36e0d350
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2.4 GB | Download |
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md5:de09ca6ef327338d62ba240eb0d140aa
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2.2 kB | Download |
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md5:e8c62269ae6607b0beeb20050e9b1f3f
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Additional details
Funding
- U.S. National Science Foundation
- Quantifying and Designing for Electrostatic Preorganization in Enzymes 2203366