Yusuf Hamied Department of Chemistry

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  • Currently displaying 4101 - 4120 of 29639 publications
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Software for the frontiers of quantum chemistry: An overview of developments in the Q-Chem 5 package
E Epifanovsky, ATB Gilbert, X Feng, J Lee, Y Mao, N Mardirossian, P Pokhilko, AF White, MP Coons, AL Dempwolff, Z Gan, D Hait, PR Horn, LD Jacobson, I Kaliman, J Kussmann, AW Lange, KU Lao, DS Levine, J Liu, SC McKenzie, AF Morrison, KD Nanda, F Plasser, DR Rehn, ML Vidal, Z-Q You, Y Zhu, B Alam, BJ Albrecht, A Aldossary, E Alguire, JH Andersen, V Athavale, D Barton, K Begam, A Behn, N Bellonzi, YA Bernard, EJ Berquist, HGA Burton, A Carreras, K Carter-Fenk, R Chakraborty, AD Chien, KD Closser, V Cofer-Shabica, S Dasgupta, M de Wergifosse, J Deng, M Diedenhofen, H Do, S Ehlert, P-T Fang, S Fatehi, Q Feng, T Friedhoff, J Gayvert, Q Ge, G Gidofalvi, M Goldey, J Gomes, CE González-Espinoza, S Gulania, AO Gunina, MWD Hanson-Heine, PHP Harbach, A Hauser, MF Herbst, M Hernández Vera, M Hodecker, ZC Holden, S Houck, X Huang, K Hui, BC Huynh, M Ivanov, Á Jász, H Ji, H Jiang, B Kaduk, S Kähler, K Khistyaev, J Kim, G Kis, P Klunzinger, Z Koczor-Benda, JH Koh, D Kosenkov, L Koulias, T Kowalczyk, CM Krauter, K Kue, A Kunitsa, T Kus, I Ladjánszki, A Landau, KV Lawler, D Lefrancois, S Lehtola, RR Li, Y-P Li, J Liang, M Liebenthal, H-H Lin, Y-S Lin, F Liu, K-Y Liu, M Loipersberger, A Luenser, A Manjanath, P Manohar, E Mansoor, SF Manzer, S-P Mao, AV Marenich, T Markovich, S Mason, SA Maurer, PF McLaughlin, MFSJ Menger, J-M Mewes, SA Mewes, P Morgante, JW Mullinax, KJ Oosterbaan, G Paran, AC Paul, SK Paul, F Pavošević, Z Pei, S Prager, EI Proynov, Á Rák, E Ramos-Cordoba, B Rana, AE Rask, A Rettig, RM Richard, F Rob, E Rossomme, T Scheele, M Scheurer, M Schneider, N Sergueev, SM Sharada, W Skomorowski, DW Small, CJ Stein, Y-C Su, EJ Sundstrom, Z Tao, J Thirman, GJ Tornai, T Tsuchimochi, NM Tubman, SP Veccham, O Vydrov, J Wenzel, J Witte, A Yamada, K Yao, S Yeganeh, SR Yost, A Zech, IY Zhang, X Zhang, Y Zhang, D Zuev, A Aspuru-Guzik, AT Bell, NA Besley, KB Bravaya, BR Brooks, D Casanova, J-D Chai, S Coriani, CJ Cramer, G Cserey, AE DePrince, RA DiStasio, A Dreuw, BD Dunietz, TR Furlani, WA Goddard, S Hammes-Schiffer, T Head-Gordon, WJ Hehre, C-P Hsu, T-C Jagau, Y Jung, A Klamt, J Kong, DS Lambrecht, W Liang, NJ Mayhall, CW McCurdy, JB Neaton, C Ochsenfeld, JA Parkhill, R Peverati, VA Rassolov, Y Shao, LV Slipchenko, T Stauch, RP Steele, JE Subotnik, AJW Thom, A Tkatchenko, DG Truhlar, T Van Voorhis, TA Wesolowski, KB Whaley, HL Woodcock, PM Zimmerman, S Faraji, PMW Gill, M Head-Gordon, JM Herbert, AI Krylov
The Journal of Chemical Physics
(2021)
155
(doi: 10.1063/5.0055522)
Moving in the mesoscale: Understanding the mechanics of cytoskeletal molecular motors by combining mesoscale simulations with imaging
MSC Gravett, RC Cocking, AP Curd, O Harlen, J Leng, SP Muench, M Peckham, DJ Read, JF Rogers, RC Welch, SA Harris
WIREs Computational Molecular Science
(2021)
12
(doi: 10.1002/wcms.1570)
Sequence grammar underlying unfolding and phase separation of globular proteins
KM Ruff, YH Choi, D Cox, AR Ormsby, Y Myung, DB Ascher, SE Radford, RV Pappu, DM Hatters
(2021)
(doi: 10.1101/2021.08.20.457073)
Unraveling the physicochemical determinants of protein liquid-liquid phase separation by nanoscale infrared vibrational spectroscopy
FS Ruggeri, AM Miller, M Vendruscolo, TPJ Knowles
Bio Protocol
(2021)
11
(doi: 10.21769/BioProtoc.4122)
Biomimetic Iron Complex Achieves TET Enzyme Reactivity**
D Schmidl, NSW Jonasson, E Korytiaková, T Carell, LJ Daumann
Angewandte Chemie
(2021)
133
(doi: 10.1002/ange.202107277)
Biomimetic Iron Complex Achieves TET Enzyme Reactivity**
D Schmidl, NSW Jonasson, E Korytiaková, T Carell, LJ Daumann
Angewandte Chemie International Edition
(2021)
60
(doi: 10.1002/anie.202107277)
Economic impacts of achieving a net-zero emissions target in the power sector
S Hafner, A Jones, A Anger-Kraavi
Journal of Cleaner Production
(2021)
312
(doi: 10.1016/j.jclepro.2021.127610)
An engineered transcriptional reporter of protein localization identifies regulators of mitochondrial and ER membrane protein trafficking in high-throughput CRISPRi screens.
R Coukos, D Yao, MI Sanchez, ET Strand, ME Olive, ND Udeshi, JS Weissman, SA Carr, MC Bassik, AY Ting
Elife
(2021)
10
(doi: 10.7554/eLife.69142)
Transmembrane signal transduction by cofactor transport
I Kocsis, Y Ding, NH Williams, CA Hunter
Chem Sci
(2021)
12
(doi: 10.1039/d1sc03910e)
Improvements to the representation of BVOC chemistry–climate interactions in UKCA (v11.5) with the CRI-Strat 2 mechanism: incorporation and evaluation
J Weber, S Archer-Nicholls, NL Abraham, YM Shin, TJ Bannan, CJ Percival, A Bacak, P Artaxo, M Jenkin, MAH Khan, DE Shallcross, RH Schwantes, J Williams, AT Archibald
Geoscientific Model Development
(2021)
14
(doi: 10.5194/gmd-14-5239-2021)
Acidic open-cage solution containing basic cage-confined nanospaces for multipurpose catalysis.
K Li, K Wu, Y-Z Fan, J Guo, Y-L Lu, Y-F Wang, G Maurin, C-Y Su
Natl Sci Rev
(2021)
9
(doi: 10.1093/nsr/nwab155)
Transition-Metal-Free Homopolymerization of Pyrrolo[2,3-d:5,4-d′]bisthiazoles via Nucleophilic Aromatic Substitution
S Dey, S Attar, EF Manley, S Moncho, EN Brothers, HS Bazzi, H Bronstein, TJ Marks, M Heeney, BC Schroeder, M Al-Hashimi
ACS Applied Materials & Interfaces
(2021)
13
(doi: 10.1021/acsami.1c10858)
Probabilistic Random Forest improves bioactivity predictions close to the classification threshold by taking into account experimental uncertainty.
LH Mervin, M-A Trapotsi, AM Afzal, IP Barrett, A Bender, O Engkvist
Journal of Cheminformatics
(2021)
13
(doi: 10.1186/s13321-021-00539-7)
Imaging protein aggregates in the serum and cerebrospinal fluid in Parkinson's disease.
E Lobanova, D Whiten, FS Ruggeri, CG Taylor, A Kouli, Z Xia, D Emin, YP Zhang, JYL Lam, CH Williams-Gray, D Klenerman
Brain
(2021)
145
(doi: 10.1093/brain/awab306)
NF-κB Rel subunit exchange on a physiological timescale.
M Biancalana, E Natan, MJ Lenardo, AR Fersht
Protein Sci
(2021)
30
(doi: 10.1002/pro.4134)
Evaluating uncertainty in sensor networks for urban air pollution insights
DR Peters, OAM Popoola, RL Jones, NA Martin, J Mills, ER Fonseca, A Stidworthy, E Forsyth, D Carruthers, M Dupuy-Todd, F Douglas, K Moore, RU Shah, LE Padilla, RA Alvarez
(2021)
(doi: 10.5194/amt-2021-210)
Supplementary material to "Evaluating uncertainty in sensor networks for urban air pollution insights"
DR Peters, OAM Popoola, RL Jones, NA Martin, J Mills, ER Fonseca, A Stidworthy, E Forsyth, D Carruthers, M Dupuy-Todd, F Douglas, K Moore, RU Shah, LE Padilla, RA Alvarez
(2021)
(doi: 10.5194/amt-2021-210-supplement)
Preparation of mono-substituted malonic acid half oxyesters (SMAHOs).
T Xavier, S Condon, C Pichon, E Le Gall, M Presset
Beilstein journal of organic chemistry
(2021)
17
(doi: 10.3762/bjoc.17.135)
Endogenous 17O Dynamic Nuclear Polarization of Gd-Doped CeO2 from 100 to 370 K
MA Hope, S Björgvinsdóttir, DM Halat, G Menzildjian, Z Wang, B Zhang, JL MacManus-Driscoll, A Lesage, M Lelli, L Emsley, CP Grey
The Journal of Physical Chemistry C
(2021)
125
(doi: 10.1021/acs.jpcc.1c04479)
Liquid–Liquid Phase‐Separated Systems from Reversible Gel–Sol Transition of Protein Microgels (Adv. Mater. 33/2021)
Y Xu, R Qi, H Zhu, B Li, Y Shen, G Krainer, D Klenerman, TPJ Knowles
Advanced Materials
(2021)
33
(doi: 10.1002/adma.202170258)
Yusuf Hamied Department of Chemistry
Lensfield Road
Cambridge
CB2 1EW
T: +44 (0) 1223 336300
enquiries@ch.cam.ac.uk
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