Mark T. Oakley

发表

Visualizing energy landscapes with metric disconnectivity graphs

Roy L. Johnston, Lewis C. Smeeton, Mark T. Oakley, 2014, J. Comput. Chem..

Lattice models of peptide aggregation: Evaluation of conformational search algorithms

Jonathan M. Garibaldi, Jonathan D. Hirst, Mark T. Oakley, 2005, J. Comput. Chem..

Protein Structure Optimization with a "Lamarckian"' Ant Colony Algorithm

Roy L. Johnston, Mark T. Oakley, E. Grace Richardson, 2013, IEEE/ACM Transactions on Computational Biology and Bioinformatics.

Computational and experimental investigations into the conformations of cyclic tetra-α/β-peptides.

Mark T. Oakley, Anna F. A. Peacock, Roy L Johnston, 2013, The journal of physical chemistry. B.

Exploring the Energy Landscapes of Cyclic Tetrapeptides with Discrete Path Sampling

Roy L. Johnston, Mark T. Oakley, R. Johnston, 2012, Journal of chemical theory and computation.

The Effect of Nonnative Interactions on the Energy Landscapes of Frustrated Model Proteins

Roy L. Johnston, David J. Wales, Mark T. Oakley, 2012 .

Energy Landscape and Global Optimization for a Frustrated Model Protein

Roy L. Johnston, David J. Wales, Mark T. Oakley, 2011, The journal of physical chemistry. B.

Energy Landscapes and Global Optimization of Self-Assembling Cyclic Peptides.

Mark T. Oakley, R. Johnston, 2014, Journal of chemical theory and computation.

University of Birmingham Protein structure optimization with a "Lamarckian" ant colony algorithm

Mark T. Oakley, R. Johnston, E. G. Richardson, 2013 .

First principles models of the interactions of methane and carbon dioxide

Mark T. Oakley, R. Wheatley, Hainam Do, 2010 .

Charge-transfer transitions in protein circular dichroism calculations.

Mark T. Oakley, J. Hirst, 2006, Journal of the American Chemical Society.

Aromatic 4-tetrahydropyranyl and 4-quinuclidinyl cations. Linking Prins with Cope and Grob.

Mark T. Oakley, J. Harvey, R. Alder, 2002, Journal of the American Chemical Society.

Structures and Energy Landscapes of Hydrated Sulfate Clusters.

Mark T. Oakley, D. Wales, R. Johnston, 2015, Journal of chemical theory and computation.

Isomers and Energy Landscapes of Perchlorate-Water Clusters and a Comparison to Pure Water and Sulfate-Water Clusters.

Mark T. Oakley, R. Johnston, J. Hey, 2016, The journal of physical chemistry. A.

Calculations on the electronic excited states of ureas and oligoureas.

Mark T. Oakley, J. Hirst, G. Guichard, 2007, The journal of physical chemistry. B.

A sequential molecular mechanics/quantum mechanics study of the electronic spectra of amides.

Mark T. Oakley, Jonathan D Hirst, Nicholas A Besley, 2004, Journal of the American Chemical Society.

Symmetrisation schemes for global optimisation of atomic clusters.

David J Wales, Mark T. Oakley, Roy L Johnston, 2013, Physical chemistry chemical physics : PCCP.

First-principles calculations of protein circular dichroism in the far-ultraviolet and beyond.

Mark T. Oakley, Jonathan D Hirst, Benjamin M. Bulheller, 2006, Chirality.

Additive and nonadditive models of vapor-liquid equilibrium in CO2 from first principles.

Mark T. Oakley, Richard J Wheatley, Mark T Oakley, 2009, The Journal of chemical physics.

First principles predictions of thermophysical properties of refrigerant mixtures.

Mark T. Oakley, J. Hirst, R. Wheatley, 2011, The Journal of chemical physics.

of Birmingham Exploring the energy landscapes of cyclic tetrapeptides with discrete path sampling

Mark T. Oakley, R. Johnston, 2012 .

Search strategies in structural bioinformatics.

Natalio Krasnogor, Mark T. Oakley, Daniel Barthel, 2008, Current protein & peptide science.

Chiral effects on helicity studied via the energy landscape of short (D, L)-alanine peptides.

Mark T. Oakley, R. Johnston, S. Neelamraju, 2015, The Journal of chemical physics.

University of Birmingham Computational and experimental investigations into the conformations of cyclic tetra-α/β-peptides

Mark T. Oakley, Anna F. A. Peacock, R. Johnston, 2013 .