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| Molecular dynamics-guided discovery of an ago-allosteric modulator for GPR40/FFAR1 [期刊论文]
Proceedings of the National Academy of Sciences of the United States of America, 2019-01-01, 116 (14
Lückmann M.; Trauelsen M.; Bentsen M.A.; Nissen T.A.D.; Martins J.; Fallah Z.; Nygaard M.M.; Papaleo E.; Lindorff-Larsen K.; Schwartz T.W.; Frimurer T.M.
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| Diverse GPCRs exhibit conserved water networks for stabilization and activation [期刊论文]
Proceedings of the National Academy of Sciences of the United States of America, 2019-01-01, 116 (8
Venkatakrishnan A.J.; Ma A.K.; Fonseca R.; Latorraca N.R.; Kelly B.; Betz R.M.; Asawa C.; Kobilka B.K.; Dror R.O.
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| Exploring fast proton transfer events associated with lateral proton diffusion on the surface of membranes [期刊论文]
Proceedings of the National Academy of Sciences of the United States of America, 2019-01-01, 116 (7
Amdursky N.; Lin Y.; Aho N.; Groenhof G.
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| Charge controlled switchable CO2/N2 separation for g-C10N9 membrane: Insights from molecular dynamics simulations [期刊论文]
Journal of CO2 Utilization, 2018-01-01, 26
Chang X.; Zhu L.; Xue Q.; Li X.; Guo T.; Li X.; Ma M.
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| Molecular insights into the mechanism and the efficiency-structure relationship of phosphorus removal by coagulation [期刊论文]
Water Research, 2018-01-01, 147
Chu Y.-B.; Li M.; Liu J.-W.; Xu W.; Cheng S.-H.; Zhao H.-Z.
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| Combined molecular dynamics and neural network method for predicting protein antifreeze activity [期刊论文]
Proceedings of the National Academy of Sciences of the United States of America, 2018-01-01, 115 (52
Kozuch D.J.; Stillinger F.H.; Debenedetti P.G.
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| Molecular mechanism of fusion pore formation driven by the neuronal SNARE complex [期刊论文]
Proceedings of the National Academy of Sciences of the United States of America, 2018-01-01, 115 (50
Sharma S.; Lindau M.
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| Atomistic simulations indicate the functional loop-to-coiled-coil transition in influenza hemagglutinin is not downhill [期刊论文]
Proceedings of the National Academy of Sciences of the United States of America, 2018-01-01, 115 (34
Lin X.; Noel J.K.; Wang Q.; Ma J.; Onuchic J.N.
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| Structure of the emre multidrug transporter and its use for inhibitor peptide design [期刊论文]
Proceedings of the National Academy of Sciences of the United States of America, 2018-01-01, 115 (34
Ovchinnikov V.; Stone T.A.; Deber C.M.; Karplus M.
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| Computational discovery of chemically patterned surfaces that effect unique hydration water dynamics [期刊论文]
Proceedings of the National Academy of Sciences of the United States of America, 2018-01-01, 115 (32
Monroe J.I.; Scott Shell M.
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