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Yusuf Hamied Department of Chemistry

 

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  • Currently displaying 7141 - 7160 of 29382 publications
QMCPACK: an open source ab initio quantum Monte Carlo package for the electronic structure of atoms, molecules and solids.
J Kim, AT Baczewski, TD Beaudet, A Benali, MC Bennett, MA Berrill, NS Blunt, EJL Borda, M Casula, DM Ceperley, S Chiesa, BK Clark, RC Clay, KT Delaney, M Dewing, KP Esler, H Hao, O Heinonen, PRC Kent, JT Krogel, I Kylänpää, YW Li, MG Lopez, Y Luo, FD Malone, RM Martin, A Mathuriya, J McMinis, CA Melton, L Mitas, MA Morales, E Neuscamman, WD Parker, SD Pineda Flores, NA Romero, BM Rubenstein, JAR Shea, H Shin, L Shulenburger, AF Tillack, JP Townsend, NM Tubman, B Van Der Goetz, JE Vincent, DC Yang, Y Yang, S Zhang, L Zhao
– J Phys Condens Matter
(2018)
30,
195901
(doi: 10.1088/1361-648x/aab9c3)
Toxic HypF-N Oligomers Selectively Bind the Plasma Membrane to Impair Cell Adhesion Capability
R Oropesa-Nuñez, S Keshavan, S Dante, A Diaspro, B Mannini, C Capitini, C Cecchi, M Stefani, F Chiti, C Canale
– Biophysical Journal
(2018)
114,
1357
(doi: 10.1016/j.bpj.2018.02.003)
Distinct thermodynamic signatures of oligomer generation in the aggregation of the amyloid-β peptide
SIA Cohen, R Cukalevski, TCT Michaels, A Šarić, M Törnquist, M Vendruscolo, CM Dobson, AK Buell, TPJ Knowles, S Linse
– Nature Chemistry
(2018)
10,
523
(doi: 10.1038/s41557-018-0023-x)
Relating the tableting behavior of piroxicam polytypes to their crystal structures using energy-vector models
PP Upadhyay, CC Sun, AD Bond
– Int J Pharm
(2018)
543,
46
(doi: 10.1016/j.ijpharm.2018.03.040)
Boron Doped Diamond: A Designer Electrode Material for the Twenty-First Century
SJ Cobb, ZJ Ayres, JV Macpherson
– Annual Review of Analytical Chemistry
(2018)
11,
1
(doi: 10.1146/annurev-anchem-061417-010107)
Special Issue: Cheminformatics in Drug Discovery
A Bender, N Brown
– ChemMedChem
(2018)
13,
467
(doi: 10.1002/cmdc.201800123)
Bioorthogonal Metabolic DNA Labelling using Vinyl Thioether‐Modified Thymidine and o‐Quinolinone Quinone Methide
A Gubu, L Li, Y Ning, X Zhang, S Lee, M Feng, Q Li, X Lei, K Jo, X Tang
– Chemistry – A European Journal
(2018)
24,
5895
(doi: 10.1002/chem.201705917)
A General, Rhodium‐Catalyzed, Synthesis of Deuterated Boranes and N‐Methyl Polyaminoboranes
AL Colebatch, BW Hawkey Gilder, GR Whittell, NL Oldroyd, I Manners, AS Weller
– Chemistry – A European Journal
(2018)
24,
5450
(doi: 10.1002/chem.201800737)
The Effect of Methyl Acetate, Ethylene Sulfate, and Carbonate Blends on the Parasitic Heat Flow of NMC532/Graphite Lithium Ion Pouch Cells
SL Glazier, J Li, X Ma, LD Ellis, JP Allen, KL Gering, JR Dahn
– Journal of The Electrochemical Society
(2018)
165,
a867
(doi: 10.1149/2.0451805jes)
Oriented chiral water wires in artificial transmembrane channels
I Kocsis, M Sorci, H Vanselous, S Murail, SE Sanders, E Licsandru, Y-M Legrand, A van der Lee, M Baaden, PB Petersen, G Belfort, M Barboiu
– Science Advances
(2018)
4,
eaao5603
(doi: 10.1126/sciadv.aao5603)
NMR Spectroscopy Reveals Adsorbate Binding Sites in the Metal–Organic Framework UiO-66(Zr)
A Nandy, AC Forse, VJ Witherspoon, JA Reimer
– Journal of Physical Chemistry C
(2018)
122,
8295
(doi: 10.1021/acs.jpcc.7b12628)
Revisiting Anisotropic Diffusion of Carbon Dioxide in the Metal-Organic Framework Zn2(dobpdc)
A Forse, S Altobelli, S Benders, M Conradi, J Reimer
(2018)
(doi: 10.26434/chemrxiv.6020006.v1)
Fluctuating Finite Element Analysis (FFEA): A continuum mechanics software tool for mesoscale simulation of biomolecules.
A Solernou, BS Hanson, RA Richardson, R Welch, DJ Read, OG Harlen, SA Harris
– PLoS computational biology
(2018)
14,
e1005897
(doi: 10.1371/journal.pcbi.1005897)
Revisiting Anisotropic Diffusion of Carbon Dioxide in the Metal-Organic Framework Zn2(dobpdc)
AC Forse, SA Altobelli, S Benders, MS Conradi, JA Reimer
(2018)
(doi: 10.26434/chemrxiv.6020006)
Optical Structural Analysis of Individual α‐Synuclein Oligomers
JA Varela, M Rodrigues, S De, P Flagmeier, S Gandhi, CM Dobson, D Klenerman, SF Lee
– Angewandte Chemie
(2018)
130,
4980
(doi: 10.1002/ange.201710779)
The small heat shock protein Hsp27 binds -synuclein fibrils, preventing elongation and cytotoxicity
D Cox, DR Whiten, JWP Brown, MH Horrocks, R San Gil, CM Dobson, D Klenerman, AM van Oijen, H Ecroyd
– Journal of Biological Chemistry
(2018)
293,
4486
(doi: 10.1074/jbc.M117.813865)
A Particulate Photocatalyst Water-Splitting Panel for Large-Scale Solar Hydrogen Generation
Y Goto, T Hisatomi, Q Wang, T Higashi, K Ishikiriyama, T Maeda, Y Sakata, S Okunaka, H Tokudome, M Katayama, S Akiyama, H Nishiyama, Y Inoue, T Takewaki, T Setoyama, T Minegishi, T Takata, T Yamada, K Domen
– Joule
(2018)
2,
509
(doi: 10.1016/j.joule.2017.12.009)
The ab initio computation of some magnetic properties and their variation with an electric field
B DAY, AD BUCKINGHAM
– Molecular Physics
(2018)
32,
343
(doi: 10.1080/00268977600103141)
Reproducing Quantum Probability Distributions at the Speed of Classical Dynamics: A New Approach for Developing Force-Field Functors.
V Sundar, D Gelbwaser-Klimovsky, A Aspuru-Guzik
– The Journal of Physical Chemistry Letters
(2018)
9,
1721
(doi: 10.1021/acs.jpclett.7b03254)
Chemo- and Regioselective Lysine Modification on Native Proteins.
MJ Matos, BL Oliveira, N Martínez-Sáez, A Guerreiro, PMSD Cal, J Bertoldo, M Maneiro, E Perkins, J Howard, MJ Deery, JM Chalker, F Corzana, G Jiménez-Osés, GJL Bernardes
– J Am Chem Soc
(2018)
140,
4004
(doi: 10.1021/jacs.7b12874)

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