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  • Currently displaying 22341 - 22360 of 31827 publications
Author(s)
Publication title
Journal Name
Publication year
Proteins of the S100 family regulate the oligomerization of p53 tumor suppressor
MR Fernandez-Fernandez, DB Veprintsev, AR Fersht
Proceedings of the National Academy of Sciences of the United States of America
(2005)
102
A molecular T-matrix approach to calculating Low-Energy Electron Diffraction intensities for ordered molecular adsorbates
M Blanco-Rey, PL de Andres, G Held, DA King
Surface Science
(2005)
579
Excitation energies from time-dependent density functional theory with accurate exchange-correlation potentials
Q Wu, AJ Cohen, WY *
Molecular Physics
(2005)
103
A variational method for the calculation of spin-rovibronic energy levels of any triatomic molecule in an electronic triplet state
S Carter, NC Handy, RT *
Molecular Physics
(2005)
103
Biased sampling of nonequilibrium trajectories: Can fast switching simulations outperform conventional free energy calculation methods?
H Oberhofer, C Dellago, PL Geissler
The Journal of Physical Chemistry B
(2005)
109
Heterogeneous alkene epoxidation: Past, present and future
RM Lambert, FJ Williams, RL Cropley, A Palermo
Journal of Molecular Catalysis A: Chemical
(2005)
228
What Contributions to Protein Side-chain Dynamics are Probed by NMR Experiments? A Molecular Dynamics Simulation Analysis
RB Best, J Clarke, M Karplus
Journal of molecular biology
(2005)
349
What Is the Smallest Saturated Acyclic Alkane that Cannot Be Made?
KMN de Silva, JM Goodman
ChemInform
(2005)
36
Solid-phase methods for the synthesis of cyanine dyes.
SJ Mason, JL Hake, J Nairne, WJ Cummins, S Balasubramanian
J Org Chem
(2005)
70
Looking at structure, stability, and evolution of proteins through the principal eigenvector of contact matrices and hydrophobicity profiles.
U Bastolla, M Porto, HE Roman, M Vendruscolo
Gene
(2005)
347
Selective five- and six-membered cyclic amine syntheses via capture of episulfonium ions
DJ Fox, TJ Morley, S Taylor, S Warren
Org Biomol Chem
(2005)
3
RDF-based molecular relationships, the Semantic Web and the future of scientific publishing.
HS Rzepa, O Casher, P Murray-Rust
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2005)
229
Novel applications of surface science towards environmental research: Model systems for studying heterogeneous photocatalysis.
A Orlov, MS Tikhov, FJ Williams, DJ Watson, RM Lambert
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2005)
229
Open access and the Chemical Semantic Web.
P Murray-Rust, HS Rzepa
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2005)
229
Development of an enantioselective organocatalytic intramolecular cyclopropanation reaction.
MJ Gaunt, N Bremeyer, SV Ley
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2005)
229
Towards the total synthesis of bengazole A
SV Ley, EP Balskus, JA Bull
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2005)
229
New generation synthesis of the ef fragment of the spongistatins.
SV Ley, A Polara, MJ Gaunt, S Kawahara
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2005)
229
John Pople - The early years.
AD Buckingham
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2005)
229
Electrochemistry in a very small cell: A computational approach.
M Sprik, J Blumberger, Y Tateyama
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2005)
229
Influence of temperature and DFT models in ab initio MD simulation of liquid water
J VandeVondele, F Mohamed, M Krack, J Hutter, M Sprik, M Parrinello
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2005)
229