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- Currently displaying 14821 - 14840 of 30389 publications
Analytical evaluation of Fukui functions and real-space linear response function.
Journal of Chemical Physics
(2012)
136
144110
(doi: 10.1063/1.3701562)
Interview with Jeremy Sanders.
Chemical communications (Cambridge, England)
(2012)
48
4931
(doi: 10.1039/c2cc90099h)
Predicting cavity formation free energy: How far is the Gaussian approximation valid?
Phys Chem Chem Phys
(2012)
14
6996
(doi: 10.1039/c2cp00046f)
Diversity-oriented synthesis: Producing chemical tools for dissecting biology
Chemical Society Reviews
(2012)
41
4444
(doi: 10.1039/c2cs35023h)
Supramolecular Chemistry
(2012)
4
1575
Staphylococcal biofilm-forming protein has a contiguous rod-like structure.
Proceedings of the National Academy of Sciences
(2012)
109
E1011
(doi: 10.1073/pnas.1119456109)
Nature and structure of aluminum surface sites grafted on silica from a combination of high-field aluminum-27 solid-state NMR spectroscopy and first-principles calculations.
Journal of the American Chemical Society
(2012)
134
6767
(doi: 10.1021/ja3008566)
The role of mechanochemistry and supramolecular design in the development of pharmaceutical materials
Crystengcomm
(2012)
14
2350
(doi: 10.1039/c2ce06582g)
Synthon preferences in cocrystals of cis-carboxamides: carboxylic acids
CrystEngComm
(2012)
14
2552
(doi: 10.1039/c2ce06241k)
Synthesis and biological profiling of tellimagrandin I and analogues reveals that the medium ring can significantly modulate biological activity
Organic and Biomolecular Chemistry
(2012)
10
2590
(doi: 10.1039/c2ob25065a)
Pharmaceutical crystallography: is there a devil in the details?
CrystEngComm
(2012)
14
2363
(doi: 10.1039/c2ce06662a)
Recognizing pitfalls in virtual screening: a critical review.
Journal of chemical information and modeling
(2012)
52
867
(doi: 10.1021/ci200528d)
Comparative Structural Effects of HIV-1 Gag and Nucleocapsid Proteins in Binding to and Unwinding of the Viral RNA Packaging Signal
Biochemistry
(2012)
51
3162
(doi: 10.1021/bi2017969)
Ligated Organocuprates: An A–Z Routemap of Mechanism and Application
(2012)
233
(doi: 10.1002/9783527646586.ch11)
Conformational dynamics of capping protein and interaction partners: Simulation studies (vol 80, pg 1066, 2012)
Proteins Structure Function and Bioinformatics
(2012)
80
1500
(doi: 10.1002/prot.24064)
Analyse der Energiebarrieren für das Wachstum von Amyloidfibrillen
Angewandte Chemie
(2012)
124
5339
(doi: 10.1002/ange.201108040)
In Situ X-ray Structural Studies of a Flexible Host Responding to Incremental Gas Loading
Angew Chem Int Ed Engl
(2012)
51
4913
(doi: 10.1002/anie.201201281)
Detailed Analysis of the Energy Barriers for Amyloid Fibril Growth
Angewandte Chemie International Edition
(2012)
51
5247
(doi: 10.1002/anie.201108040)
Failure of the random-phase-approximation correlation energy
Physical Review A Atomic Molecular and Optical Physics
(2012)
85
042507
(doi: 10.1103/physreva.85.042507)