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  • Currently displaying 11501 - 11520 of 31135 publications
Author(s)
Publication title
Journal Name
Publication year
Linked coupled cluster Monte Carlo.
RST Franklin, JS Spencer, A Zoccante, AJW Thom
J Chem Phys
(2016)
144
Development and Performance of Iron Based Oxygen Carriers Containing Calcium Ferrites for Chemical Looping Combustion and Production of Hydrogen Introduction
M Ismail, W Liu, MT Dunstan, SA Scott
International Journal of Hydrogen Energy
(2016)
41
Trigonal (-3) symmetry octahedral lanthanide(III) complexes of zwitterionic tripodal ligands: luminescence and magnetism
DE Janzen, M Juchum, SR Presow, TK Ronson, W Mohr, R Clérac, HLC Feltham, S Brooker
Supramolecular Chemistry
(2016)
28
Turning intractable counting into sampling: computing the configurational entropy of three-dimensional jammed packings
S Martiniani, KJ Schrenk, JD Stevenson, DJ Wales, D Frenkel
(2016)
Theory and Simulation of DNA-Coated Colloids: a Guide for Rational Design
S Angioletti-Uberti, BM Mognetti, D Frenkel
(2016)
Explosive Contagion in Networks.
J Gómez-Gardeñes, L Lotero, SN Taraskin, FJ Pérez-Reche
Scientific Reports
(2016)
6
Subcomponent Flexibility Enables Conversion between D4-Symmetric Cd8IIL8 and T-Symmetric Cd4IIL4 Assemblies
J Mosquera, TK Ronson, JR Nitschke
Journal of the American Chemical Society
(2016)
138
Structure of the Stapled Peptide Bound to Mdm2
YH Lau, Y Wu, M Rossmann, P de Andrade, YS Tan, GJ McKenzie, AR Venkitaraman, M Hyvonen, DR Spring
(2016)
The impact of residential combustion emissions on atmospheric aerosol, human health, and climate
EW Butt, A Rap, A Schmidt, CE Scott, KJ Pringle, CL Reddington, NAD Richards, MT Woodhouse, J Ramirez-Villegas, H Yang, V Vakkari, EA Stone, M Rupakheti, PS Praveen, PG van Zyl, JP Beukes, M Josipovic, EJS Mitchell, SM Sallu, PM Forster, DV Spracklen
Atmospheric Chemistry and Physics
(2016)
16
Hofmeister Ion-Induced Changes in Water Structure Correlate with Changes in Solvation of an Aggregated Protein Complex
TP Light, KM Corbett, MA Metrick, G MacDonald
Langmuir : the ACS journal of surfaces and colloids
(2016)
32
Locating Instantons in Calculations of Tunneling Splittings: The Test Case of Malonaldehyde
MT Cvitaš, SC Althorpe
Journal of Chemical Theory and Computation
(2016)
12
Turning intractable counting into sampling: Computing the configurational entropy of three-dimensional jammed packings.
S Martiniani, KJ Schrenk, JD Stevenson, DJ Wales, D Frenkel
Phys Rev E
(2016)
93
A fragment merging approach towards the development of small molecule inhibitors of Mycobacterium tuberculosis EthR for use as ethionamide boosters.
PO Nikiforov, S Surade, M Blaszczyk, V Delorme, P Brodin, AR Baulard, TL Blundell, C Abell
Org Biomol Chem
(2016)
14
Crystal structures of a family of layered coordination polymers containing divalent metal ions (Mn2+, Co2+, Ni2+ and Zn2+) and the 3-amino 4-methyl benzoate ion
MK Khosa, PT Wood, SM Humphrey, WTA Harrison
Journal of Structural Chemistry
(2016)
56
Hamiltonian Dynamics of Protein Filament Formation
TCT Michaels, SIA Cohen, M Vendruscolo, CM Dobson, TPJ Knowles
Physical review letters
(2016)
116
Single-Molecule Imaging of Individual Amyloid Protein Aggregates in Human Biofluids
MH Horrocks, SF Lee, S Gandhi, NK Magdalinou, SW Chen, MJ Devine, L Tosatto, M Kjaergaard, JS Beckwith, H Zetterberg, M Iljina, N Cremades, CM Dobson, NW Wood, D Klenerman
ACS Chem Neurosci
(2016)
7
Catenation and encapsulation induce distinct reconstitutions within a dynamic library of mixed-ligand Zn4L6 cages.
SP Black, DM Wood, FB Schwarz, TK Ronson, JJ Holstein, AR Stefankiewicz, CA Schalley, JKM Sanders, JR Nitschke
Chemical science
(2016)
7
The total synthesis of K-252c (staurosporinone) via a sequential C-H functionalisation strategy
JC Fox, RE Gilligan, AK Pitts, HR Bennett, MJ Gaunt
Chem Sci
(2016)
7
Seeding approach to crystal nucleation
JR Espinosa, C Vega, C Valeriani, E Sanz
The Journal of chemical physics
(2016)
144
De Novo Evolutionary Emergence of a Symmetrical Protein Is Shaped by Folding Constraints.
RG Smock, I Yadid, O Dym, J Clarke, DS Tawfik
Cell
(2016)
164