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- Currently displaying 13541 - 13560 of 29882 publications
PaDEL-DDPredictor: Open-source software for PD-PK-T prediction
J Comput Chem
(2012)
34
604
(doi: 10.1002/jcc.23173)
The Influence of Water and Metal Ions on the Transport Properties of Trihexyl(tetradecyl)phosphonium Chloride
Australian Journal of Chemistry
(2012)
65
1542
(doi: 10.1071/ch12332)
An explicitly correlated approach to basis set incompleteness in full configuration interaction quantum Monte Carlo
The Journal of Chemical Physics
(2012)
137
164112
(doi: 10.1063/1.4762445)
Felodipine-diazabicyclo[2.2.2]octane-water (1/1/1)
Acta Crystallographica Section C: Structural Chemistry
(2012)
68
O456
(doi: 10.1107/S0108270112043405)
Highly enantio- and diastereoselective generation of two quaternary centers in spirocyclopropanation of oxindole derivatives.
Chemistry (Weinheim an der Bergstrasse, Germany)
(2012)
18
14929
(doi: 10.1002/chem.201203099)
Direct surface analysis of time-resolved aerosol impactor samples with ultrahigh-resolution mass spectrometry.
Anal Chem
(2012)
84
9858
(doi: 10.1021/ac3020615)
Modelling future changes to the stratospheric source gas injection of biogenic bromocarbons
Geophysical Research Letters
(2012)
39
ARTN L20813
(doi: 10.1029/2012GL053401)
Alkyltransferase-like protein (Atl1) distinguishes alkylated guanines for DNA repair using cation-pi interactions
Proceedings of the National Academy of Sciences of the United States of America
(2012)
109
18755
(doi: 10.1073/pnas.1209451109)
Chemical physics of protein folding.
Proceedings of the National Academy of Sciences
(2012)
109
17770
(doi: 10.1073/pnas.1215733109)
Tropical convective transport and the Walker circulation
Atmospheric Chemistry and Physics
(2012)
12
9791
(doi: 10.5194/acp-12-9791-2012)
On the energetic dependence of charge separation in low-band-gap polymer/fullerene blends.
J Am Chem Soc
(2012)
134
18189
(doi: 10.1021/ja308177d)
Kinetic and computational evidence for an intermediate in the hydrolysis of sulfonate esters.
Org Biomol Chem
(2012)
10
8095
(doi: 10.1039/c2ob25699a)
Dissecting fragment-based lead discovery at the von Hippel-Lindau protein:hypoxia inducible factor 1α protein-protein interface.
Chem Biol
(2012)
19
1300
Preparation of bicyclic heterocycles as anticancer agents : WO 2012/143726 A1
(2012)
Protein folding: adding a nucleus to guide helix docking reduces landscape roughness.
Journal of molecular biology
(2012)
423
273
(doi: 10.1016/j.jmb.2012.08.003)
Sum Frequency Generation Spectrum of a Self-Assembled Monolayer Containing Two Different Methyl Group Orientations
Journal of Physical Chemistry Letters
(2012)
3
3276
(doi: 10.1021/jz301363k)
Tuning Fluorescent Molecules by Inclusion in a Metal–Organic Framework: An Experimental and Computational Study
ChemPlusChem
(2012)
77
1112
(doi: 10.1002/cplu.201200245)