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- Currently displaying 20561 - 20580 of 29668 publications
Effect of salt bridges on the energy landscape of a model protein
The Journal of Chemical Physics
(2004)
121
10284
(doi: 10.1063/1.1810471)
Improving numerical integration through basis set expansion
Theoretical Chemistry Accounts
(2004)
112
410
(doi: 10.1007/s00214-004-0613-0)
Calculation of nuclear magnetic resonance shielding constants using potential-based methods
Chemical Physics Letters
(2004)
399
84
(doi: 10.1016/j.cplett.2004.09.112)
Representation and use of chemistry in the global electronic age
Organic and Biomolecular Chemistry
(2004)
2
3192
(doi: 10.1039/b410732b)
Open access and the Chemical Semantic Web.
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2004)
229
U601
Metal–carbon bond energies for adsorbed hydrocarbons from calorimetric data
Surface Science
(2004)
572
179
(doi: 10.1016/j.susc.2004.08.015)
One-state downhill versus conventional protein folding.
J Mol Biol
(2004)
344
295
(doi: 10.1016/j.jmb.2004.09.069)
Selection of a pentameric host in the host-guest complexes {[{[P(μ-NtBu)]2(μ-NH)}5]·I} -[Li(thf)4]+ and [{[P(μ-NtBu)] 2(μ-NH)}5]·HBr·THF
Chemistry
(2004)
10
{6066-6072}
(doi: 10.1002/chem.200400320)
MD simulations of spontaneous membrane protein/detergent micelle formation
J Am Chem Soc
(2004)
126
15948
(doi: 10.1021/ja044819e)
Preparation of enantiopure butane-2,3-diacetals of glycolic acid and alkylation reactions leading to alpha-hydroxyacid and amide derivatives
Org. Biomol. Chem.
(2004)
2
3608
(doi: 10.1039/b412788a)
Studies on the generation of enolate anions from butane-2,3-diacetal protected glycolic acid derivatives and subsequent highly diastereoselective coupling reactions with aldehydes and acid chlorides
Organic & biomolecular chemistry
(2004)
2
3618
(doi: 10.1039/b412790k)
Molecular Surface Point Environments for Virtual Screening and the Elucidation of Binding Patterns (MOLPRINT 3D)
Journal of Medicinal Chemistry
(2004)
47
6569
(doi: 10.1021/jm049611i)
Water-soluble hydroxyalkylated phosphines: examples of their differing behaviour toward ruthenium and rhodium
Dalton Transactions
(2004)
4202
(doi: 10.1039/b411701h)
Atomic vibrations in disordered systems: Comparison of disordered diamond lattices and a realistic amorphous silicon model
Physica Status Solidi C Conferences
(2004)
1
2904
(doi: 10.1002/pssc.200405362)
A molecular dynamics simulation of the melting points and glass transition temperatures of myo- and neo-inositol.
The Journal of Chemical Physics
(2004)
121
9565
(doi: 10.1063/1.1806792)
A Test for Homology: Photoactive Crystalline Assemblies Involving Linear Templates Based on a Homologous Series of Phloroglucinols
Org Lett
(2004)
6
4647
(doi: 10.1021/ol0484052)
Origins of helix-coil switching in a light-sensitive peptide
Biochemistry
(2004)
43
15329
(doi: 10.1021/bi048152k)
The folding of spectrin domains II: phi-value analysis of R16.
Journal of Molecular Biology
(2004)
344
207
(doi: 10.1016/j.jmb.2004.09.023)
The Folding of Spectrin Domains I: Wild-type Domains Have the Same Stability but very Different Kinetic Properties
Journal of molecular biology
(2004)
344
195
(doi: 10.1016/j.jmb.2004.09.037)
NO to NO2− conversion by divalent lanthanides: synthesis and crystal structure of [Sm(TpMe2,4-Et)2NO2]
Polyhedron
(2004)
23
2709
(doi: 10.1016/j.poly.2004.05.018)
