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PubPharm (368)
91
A conserved arginine with non‐conserved function is a key determinant of agonist selectivity in α7 nicotinic ACh receptors
enthalten in:
British Journal of Pharmacology
| 2021
von
Minguez‐Viñas, T.
|
Nielsen, B.
|
Shoemark, D.
| +8
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92
Interactive Molecular Dynamics in Virtual Reality Is an Effective Tool for Flexible Substrate and Inhibitor Docking to the SARS-CoV-2 Main Protease
enthalten in:
Journal of chemical information and modeling
| 2020
von
Deeks, H.
|
Walters, R.
|
Barnoud, J.
| +2
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93
COVID19 - Computational Chemists Meet the Moment
enthalten in:
Journal of chemical information and modeling
| 2020
von
Mulholland, A.
|
Amaro, R.
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94
Enzyme evolution and the temperature dependence of enzyme catalysis
enthalten in:
Current opinion in structural biology
| 2020
von
Arcus, V.
|
van der Kamp, M.
|
Pudney, C.
| +1
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95
Mechanism of inhibition of SARS-CoV-2 Mpro by N3 peptidyl Michael acceptor explained by QM/MM simulations and design of new derivatives with tunable chemical reactivity
enthalten in:
Chemical science
| 2020
von
Arafet, K.
|
Serrano-Aparicio, N.
|
Lodola, A.
| +4
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96
Biomolecular Simulations in the Time of COVID19, and After
enthalten in:
Computing in science & engineering
| 2020
von
Amaro, R.
|
Mulholland, A.
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97
Enhanced sampling molecular dynamics simulations correctly predict the diverse activities of a series of stiff-stilbene G-quadruplex DNA ligands
enthalten in:
Chemical science
| 2020
von
O'Hagan, M.
|
Haldar, S.
|
Morales, J.
| +2
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98
Free fatty acid binding pocket in the locked structure of SARS-CoV-2 spike protein
enthalten in:
Science (New York, N.Y.)
| 2020
von
Toelzer, C.
|
Gupta, K.
|
Yadav, S.
| +13
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99
Precision design of single and multi-heme de novo proteins
enthalten in:
bioRxiv.org
| 2020
von
Hutchins, G.
|
Noble, C.
|
Blackburn, H.
| +11
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100
Electronic structure benchmark calculations of CO2 fixing elementary chemical steps in RuBisCO using the projector-based embedding approach
enthalten in:
Journal of computational chemistry
| 2020
von
Douglas-Gallardo, O.
|
Shepherd, I.
|
Bennie, S.
| +3
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