Published September 5, 2023
| Version 1
Dataset
Open
MD data for "Xanomeline displays concomitant orthosteric and allosteric binding modes at the M4 mAChR".
Description
MD simulations for "W.A. Burger, V. Pham, Z. Vuckovic, A.S. Powers, J.I. Mobbs, Y. Laloudakis, A. Glukhova, D. Wootten, A.B. Tobin, P.M. Sexton, S.M. Paul, C.C. Felder, R. Radostin, R.O. Dror, A. Christopoulos, C. Valant, and D.M. Thal. Xanomeline displays concomitant orthosteric and allosteric binding modes at the M4 mAChR. Nature Communications, 14(1): 5440 (2023)."
Notes
Trajectories are in .dcd format and parameters/structures in .psf format.
Files
M1 allosteric xanomeline stability.zip
Files
(1.1 GB)
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md5:36023baefedc06e0ed95c20af3ec376c
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md5:3596c8a8bcd67cabb07aba29eb2dbab1
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md5:41e774927d3c1370c4872b6c9617e99f
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md5:44ee4edac62c2393f4a28e870393eee3
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md5:68e3166a0ba39744e688b907f4a442fb
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md5:b1cb732463ee7c99f4c8fe860c04ff8b
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