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- Currently displaying 21901 - 21920 of 31091 publications
Improving numerical integration through basis set expansion
Theoretical Chemistry Accounts
(2004)
112
410
(doi: 10.1007/s00214-004-0613-0)
Effect of salt bridges on the energy landscape of a model protein
Journal of Chemical Physics
(2004)
121
10284-10290
(doi: 10.1063/1.1810471)
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)
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 (Weinheim an der Bergstrasse, Germany)
(2004)
10
6066
(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 α-hydroxyacid and amide derivatives
Organic and Biomolecular Chemistry
(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.
Org. Biomol. Chem.
(2004)
2
3618
(doi: 10.1039/b412790k)
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)
Water-soluble hydroxyalkylated phosphines: examples of their differing behaviour toward ruthenium and rhodium
Dalton Transactions
(2004)
4202
(doi: 10.1039/b411701h)
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)
A molecular dynamics simulation of the melting points and glass transition temperatures of myo- and neo-inositol.
J Chem Phys
(2004)
121
9565
(doi: 10.1063/1.1806792)
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)
The folding of spectrin domains II: Phi-value analysis of R16
J Mol Biol
(2004)
344
207
(doi: 10.1016/j.jmb.2004.09.023)
A Test for Homology: Photoactive Crystalline Assemblies Involving Linear Templates Based on a Homologous Series of Phloroglucinols
Organic Letters
(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)
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)
