Biochemistry

Vijayan R., Plested A.J.R., Mayer M.L., Biggin P.C

"Selectivity and cooperativity of modulatory ions in a neurotransmitter receptor."

Biophysical Journal. 96 (2009):1751-1760.

Plested, Andrew J., Ranjit Vijayan, Philip C. Biggin, and Mark L. Mayer.

" Molecular Basis of Kainate Receptor Modulation by Sodium."

Neuron 58.5 (2008): 720-35. External link to paper.

Vijayan R., Biggin P.C.

"A steroid in a lipid bilayer: Localization, orientation and energetics."

Biophysical Journal 95 (2008):L45-L47.

Fowler, Philip W., Sebastien Geroult, Shantenu Jha, Gabriel Waksman et al..

"Rapid, Accurate, and Precise Calculation of Relative Binding Affinities for the SH2 Domain Using a Computational Grid."

Journal of Chemical Theory and Computation 3.3 (2007): 1193-202.

Perez, Alberto, Ivan Marchan, Daniel Svozil, Jiri Sponer et al..

"Refinement of the AMBER Force Field for Nucleic Acids: Improving the Description of α/γ Conformers."

Biophysical Journal 92.11 (2007): 3817-29.  External link to paper.

West, Daniel K., David J. Brockwell, Peter D. Olmstead, Sheena E. Radford et al..

"Mechanical Resistance of Proteins Explained Using Simple Molecular Models."

Biophysical Journal 90.1 (2006): 287-97.  External link to paper.

Fowler, Philip W., and Peter V. Coveney.

"A Computational Protocol for the Integration of the Monotopic Protein Prostaglandin H2 Synthase into a Phospholipid Bilayer."

Biophysical Journal 91.2 (2006): 401-10.  External link to paper.

Sadiq S K, Zasada S, Coveney P. 

Grid Assisted Ensemble Molecular Dynamics Simulations of HIV-1 Proteases Reveal Novel Conformations. 

In: Computational Life Sciences II.  Springer Berlin / Heidelberg; 2006.; p.150-161.

Fowler, Philip W., Shantenu Jha, and Peter V. Coveney.

"Energies accelerates the calculation of binding free Grid-based steered thermodynamic integration."

Phil. Trans. R. Soc. A 363.1833 (2005): 1999-2015.

Kashif Sadiq   

Insights into a Mutation-Assisted Lateral Drug Escape Mechanism from the HIV-1 Protease Active Site   

Biochemistry    10.1021/bi700864p                         

Neil Berry    

Synthesis, transacylation kinetics and computational chemistry of a set of arylacetic acid 1-O-acyl glucuronides    

Organic and Biomolecular Chemistry    10.1039/b822777b                                                                                                                      

If you would like your papers added to this section, please contact the NGS Liaison Officer.