검색결과 : 40건
| No. | Article |
|---|---|
| 1 |
Free fatty acid binding pocket in the locked structure of SARS-CoV-2 spike protein Toelzer C, Gupta K, Yadav SKN, Borucu U, Davidson AD, Williamson MK, Shoemark DK, Garzoni F, Staufer O, Milligan R, Capin J, Mulholland AJ, Spatz J, Fitzgerald D, Berger I, Schaffitzel C Science, 370(6517), 725, 2020 |
| 2 |
Quantum Mechanics/Molecular Mechanics (QM/MM) Calculations Support a Concerted Reaction Mechanism for the Zika Virus NS2B/NS3 Serine Protease with Its Substrate Nutho B, Mulholland AJ, Rungrotmongkol T Journal of Physical Chemistry B, 123(13), 2889, 2019 |
| 3 |
Emergence of a Negative Activation Heat Capacity during Evolution of a Designed Enzyme Bunzel HA, Kries H, Marchetti L, Zeymer C, Mittl PRE, Mulholland AJ, Hilvert D Journal of the American Chemical Society, 141(30), 11745, 2019 |
| 4 |
A General Mechanism for Signal Propagation in the Nicotinic Acetylcholine Receptor Family Oliveira ASF, Edsall CJ, Woods CJ, Bates P, Nunez GV, Wonnacott S, Bermudez I, Ciccotti G, Gallagher T, Sessions RB, Mulholland AJ Journal of the American Chemical Society, 141(51), 19953, 2019 |
| 5 |
Multi-sensor inline measurements of crystal size and shape distributions during high shear wet milling of crystal slurries Agimelen OS, Svoboda V, Ahmed B, Cardona J, Dziewierz J, Brown CJ, McGlone T, Cleary A, Tachtatzis C, Michie C, Florence AJ, Andonovic I, Mulholland AJ, Sefcik J Advanced Powder Technology, 29(12), 2987, 2018 |
| 6 |
Loop Motion in Triosephosphate Isomerase Is Not a Simple Open and Shut Case Liao QH, Kulkarni Y, Sengupta U, Petrovic D, Mulholland AJ, van der Kamp MW, Strodel B, Kamerlin SCL Journal of the American Chemical Society, 140(46), 15889, 2018 |
| 7 |
Modelling of artefacts in estimations of particle size of needle-like particles from laser diffraction measurements Agimelen OS, Mulholland AJ, Sefcik J Chemical Engineering Science, 158, 445, 2017 |
| 8 |
A weak-inertia mathematical model of bubble growth in a polymer foam Barlow E, Bradley AM, Mulholland AJ, Torres-Sanchez C Journal of Non-Newtonian Fluid Mechanics, 244, 1, 2017 |
| 9 |
Ab Initio QM/MM Modeling of the Rate-Limiting Proton Transfer Step in the Deamination of Tryptamine by Aromatic Amine Dehydrogenase Ranaghan KE, Morris WG, Masgrau L, Senthilkumar K, Johannissen LO, Scrutton NS, Harvey JN, Manby FR, Mulholland AJ Journal of Physical Chemistry B, 121(42), 9785, 2017 |
| 10 |
Integration of in situ imaging and chord length distribution measurements for estimation of particle size and shape Agimelen OS, Jawor-Baczynska A, McGinty J, Dziewierz J, Tachtatzis C, Cleary A, Haley I, Michie C, Andonovic I, Sefcik J, Mulholland AJ Chemical Engineering Science, 144, 87, 2016 |