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- Currently displaying 13921 - 13940 of 29915 publications
Efficient simulation of explicitly solvated proteins in the well-tempered ensemble
Journal of Chemical Theory and Computation
(2012)
8
2189
(doi: 10.1021/ct300297t)
A parameter-free, solid-angle based, nearest-neighbor algorithm.
The Journal of Chemical Physics
(2012)
136
234107
(doi: 10.1063/1.4729313)
Human Serum Albumin Can Regulate Amyloid-β Peptide Fiber Growth in the Brain Interstitium IMPLICATIONS FOR ALZHEIMER DISEASE*
J Biol Chem
(2012)
287
28163
(doi: 10.1074/jbc.C112.360800)
Identification of cation clustering in Mg-Al layered double hydroxides using multinuclear solid state nuclear magnetic resonance spectroscopy
Chemistry of Materials
(2012)
24
2449
(doi: 10.1021/cm300386d)
Dihydroazulene Photoswitch Operating in Sequential Tunneling Regime: Synthesis and Single‐Molecule Junction Studies
Advanced Functional Materials
(2012)
22
4249
(doi: 10.1002/adfm.201200897)
Copper-Catalyzed Alkene Arylation with Diaryliodonium Salts
J Am Chem Soc
(2012)
134
10773
(doi: 10.1021/ja3039807)
Electronic shell structure in Ga 12 icosahedra and the relation to the bulk forms of gallium
Phys Chem Chem Phys
(2012)
14
9912
(doi: 10.1039/c2cp41078h)
A theoretical and simulation study of the self-assembly of a binary blend of diblock copolymers
The Journal of Chemical Physics
(2012)
136
234905
(doi: 10.1063/1.4729159)
Separating the effects of internal friction and transition state energy to explain the slow, frustrated folding of spectrin domains
Proceedings of the National Academy of Sciences of the United States of America
(2012)
109
17795
(doi: 10.1073/pnas.1201793109)
2-[(2-Acet-oxy-benzo-yl)-oxy]benzoic acid.
Acta Crystallographica Section E Structure Reports Online
(2012)
68
o2108
(doi: 10.1107/S1600536812026475)
Raman and infrared spectroscopy of α and β phases of thin nickel hydroxide films electrochemically formed on nickel
The journal of physical chemistry. A
(2012)
116
6771
(doi: 10.1021/jp303546r)
Bond-selective energy redistribution in the chemisorption of CH3D and CD3H on Pt{110}-(1×2): A first-principles molecular dynamics study
Computational and Theoretical Chemistry
(2012)
990
144
(doi: 10.1016/j.comptc.2011.11.048)
Single-molecule approach to DNA minor-groove association dynamics.
Angew Chem Int Ed Engl
(2012)
51
7541
(doi: 10.1002/anie.201201099)
Hydrodynamic trapping of molecules in lipid bilayers
Proceedings of the National Academy of Sciences
(2012)
109
10328
(doi: 10.1073/pnas.1202858109)
Fragment-Based Approaches in Drug Discovery and Chemical Biology
Biochemistry
(2012)
51
4990
(doi: 10.1021/bi3005126)
On Crystal versus Fiber Formation in Dipeptide Hydrogelator Systems
Langmuir : the ACS journal of surfaces and colloids
(2012)
28
9797
(doi: 10.1021/la301371q)
Beyond click chemistry: spontaneous C-triazolyl transfer from copper to rhenium and transformation into mesoionic C-triazolylidene carbene
Chem Commun (Camb)
(2012)
48
7209
(doi: 10.1039/c2cc32725b)
Genetic Encoding of Bicyclononynes and trans-Cyclooctenes for Site-Specific Protein Labeling in Vitro and in Live Mammalian Cells via Rapid Fluorogenic Diels–Alder Reactions
Journal of the American Chemical Society
(2012)
134
10317
(doi: 10.1021/ja302832g)
An e-Science data infrastructure for simulations within Grid computing environment: Methods, approaches and practice
Concurrency Computation Practice and Experience
(2012)
25
385
(doi: 10.1002/cpe.2849)
