Publications

Tips on using this search form

All search terms are case-insensitive
If you specify more than one search option (e.g. you search for both "Authors" and "Paper title") then the publications returned will be those that match all of your search terms
To reset the search form, click here

Currently displaying 20541 - 20560 of 30393 publications

Analytic energy gradients of the optimized effective potential method

Q Wu, AJ Cohen, W Yang

J Chem Phys

(2005)

123

134111

(doi: 10.1063/1.1989310)

Polymer Crystallization Driven by Anisotropic Interactions

W Hu, D Frenkel

Advances in Polymer Science

(2005)

191

(doi: 10.1007/12_011)

Selective Functionalization of Arenes through the Reaction of Aryne-Zirconocene Complexes and Enol Ethers

J Barluenga, A Fernández, L Álvarez-Rodrigo, F Rodríguez, FJ Fañanás

Synlett

(2005)

2513

(doi: 10.1055/s-2005-872699)

Total synthesis of two novel subpicomolar sarco/endoplasmatic reticulum Ca2+-ATPase inhibitors designed by an analysis of the binding site of thapsigargin.

H Søhoel, T Liljefors, SV Ley, SF Oliver, A Antonello, MD Smith, CE Olsen, JT Isaacs, SB Christensen

Journal of medicinal chemistry

(2005)

7005

(doi: 10.1021/jm058036v)

Diagnosing broken ergodicity using an energy fluctuation metric - art. no. 134504

VK de Souza, DJ Wales

Journal of Chemical Physics

(2005)

123

134504

(doi: 10.1063/1.2035080)

Molecular simulations and lipid–protein interactions: potassium channels and other membrane proteins

MSP Sansom, PJ Bond, SS Deol, A Grottesi, S Haider, ZA Sands

Biochem Soc Trans

(2005)

916

(doi: 10.1042/bst20050916)

Simulation studies of the interactions between membrane proteins and detergents.

PJ Bond, J Cuthbertson, MSP Sansom

Biochemical Society transactions

(2005)

910

(doi: 10.1042/BST0330910)

Membrane protein structure quality in molecular dynamics simulation.

RJ Law, C Capener, M Baaden, PJ Bond, J Campbell, G Patargias, Y Arinaminpathy, MSP Sansom

J Mol Graph Model

(2005)

157

(doi: 10.1016/j.jmgm.2005.05.006)

Mt. Erebus, the largest point source of NO2 in Antarctica

C Oppenheimer, PR Kyle, VI Tsanev, AJS McGonigle, TA Mather, D Sweeney

Atmospheric Environment

(2005)

6000

(doi: 10.1016/j.atmonsenv.2005.06.036)

Structure-activity relationships of Erwinia carotovora quorum sensing signaling molecules.

M Welch, JM Dutton, FG Glansdorp, GL Thomas, DS Smith, SJ Coulthurst, AML Barnard, GPC Salmond, DR Spring

Bioorganic and Medicinal Chemistry Letters

(2005)

4235

(doi: 10.1016/j.bmcl.2005.06.066)

Organic ammonium halides as analogues of main-group amide/imide complexes in the solid state: Extension of ring-laddering and ring-stacking principles

AD Bond

Coordination Chemistry Reviews

(2005)

249

2035

(doi: 10.1016/j.ccr.2005.03.018)