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  • Currently displaying 10741 - 10760 of 30304 publications
Author(s)
Publication title
Journal Name
Publication year
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)
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
Time Evolution of the Wettability of Supported Graphene under Ambient Air Exposure.
AI Aria, PR Kidambi, RS Weatherup, L Xiao, JA Williams, S Hofmann
The journal of physical chemistry. C, Nanomaterials and interfaces
(2016)
120
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
Organic and Biomolecular Chemistry
(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
Phys Rev Lett
(2016)
116
Catenation and encapsulation induce distinct reconstitutions within a dynamic library of mixed-ligand Zn
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)
JC Fox, RE Gilligan, AK Pitts, HR Bennett, MJ Gaunt
Chem Sci
(2016)
7
Connecting defects and amorphization in UiO-66 and MIL-140 metal–organic frameworks: a combined experimental and computational study.
TD Bennett, TK Todorova, EF Baxter, DG Reid, C Gervais, B Bueken, B Van de Voorde, D De Vos, DA Keen, C Mellot-Draznieks
Phys Chem Chem Phys
(2016)
18
Seeding approach to crystal nucleation.
JR Espinosa, C Vega, C Valeriani, E Sanz
J Chem Phys
(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
ChemInform Abstract: Hypervalent Iodine(III) in Direct Oxidative Amination of Arenes with Heteroaromatic Amines.
S Manna, PO Serebrennikova, IA Utepova, AP Antonchick, ON Chupakhin
ChemInform
(2016)
47
New chiral ligands derived from (+) and (-)-α-pinene for the enantioselective addition of diethylzinc to aldehydes
G Frensch, R Labes, CL Wosch, L dos Santos Munaretto, KS Salomé, PG Guerrero, FA Marques
Tetrahedron Letters
(2016)
57
Beneficial effects of substituting trivalent ions in the B-site of La 0.5 Sr 0.5 Mn 1−x A x O 3 (A = Al, Ga, Sc) on the thermochemical generation of CO and H 2 from CO 2 and H 2 O
S Dey, BS Naidu, CNR Rao
Dalton Trans
(2016)
45
A new Pseudomonas quinolone signal (PQS) binding partner: MexG.
JT Hodgkinson, J Gross, YR Baker, DR Spring, M Welch
Chemical Science
(2016)
7