Mark T Oakley
Mark T Oakley
Verified email at bham.ac.uk
Title
Cited by
Cited by
Year
Aromatic 4-tetrahydropyranyl and 4-quinuclidinyl cations. Linking prins with cope and grob
RW Alder, JN Harvey, MT Oakley
Journal of the American Chemical Society 124 (18), 4960-4961, 2002
1302002
A sequential molecular mechanics/quantum mechanics study of the electronic spectra of amides
NA Besley, MT Oakley, AJ Cowan, JD Hirst
Journal of the American Chemical Society 126 (41), 13502-13511, 2004
762004
Symmetrisation schemes for global optimisation of atomic clusters
MT Oakley, RL Johnston, DJ Wales
Physical Chemistry Chemical Physics 15 (11), 3965-3976, 2013
542013
The azulene-to-naphthalene rearrangement revisited: a DFT study of Intramolecular and radical-promoted mechanisms
RW Alder, SP East, JN Harvey, MT Oakley
Journal of the American Chemical Society 125 (18), 5375-5387, 2003
462003
Energy landscape and global optimization for a frustrated model protein
MT Oakley, DJ Wales, RL Johnston
The Journal of Physical Chemistry B 115 (39), 11525-11529, 2011
422011
Additive and nonadditive models of vapor-liquid equilibrium in CO2 from first principles
MT Oakley, RJ Wheatley
The Journal of chemical physics 130 (3), 034110, 2009
372009
Charge-transfer transitions in protein circular dichroism calculations
MT Oakley, JD Hirst
Journal of the American Chemical Society 128 (38), 12414-12415, 2006
312006
Exploring the Energy Landscapes of Cyclic Tetrapeptides with Discrete Path Sampling
MT Oakley, RL Johnston
Journal of chemical theory and computation 9 (1), 650-657, 2013
302013
Search strategies in structural bioinformatics
MT Oakley, D Barthel, Y Bykov, JM Garibaldi, EK Burke, N Krasnogor, ...
Current Protein and Peptide Science 9 (3), 260-274, 2008
252008
First‐principles calculations of protein circular dichroism in the far‐ultraviolet and beyond
MT Oakley, BM Bulheller, JD Hirst
Chirality 18 (5), 340-347, 2006
242006
Structures and Energy Landscapes of Hydrated Sulfate Clusters
LC Smeeton, JD Farrell, MT Oakley, DJ Wales, RL Johnston
Journal of Chemical Theory and Computation 11 (5), 2377-2384, 2015
232015
Computational and Experimental Investigations into the Conformations of Cyclic Tetra-α/β-peptides
MT Oakley, E Oheix, AFA Peacock, RL Johnston
The Journal of Physical Chemistry B 117 (27), 8122-8134, 2013
212013
First principles models of the interactions of methane and carbon dioxide
MT Oakley, H Do, RJ Wheatley
Fluid Phase Equilibria 290 (1-2), 48-54, 2010
192010
Calculations on the electronic excited states of ureas and oligoureas
MT Oakley, G Guichard, JD Hirst
The Journal of Physical Chemistry B 111 (12), 3274-3279, 2007
152007
Isomers and Energy Landscapes of Perchlorate–Water Clusters and a Comparison to Pure Water and Sulfate–Water Clusters
JC Hey, LC Smeeton, MT Oakley, RL Johnston
The Journal of Physical Chemistry A 120 (23), 4008-4015, 2016
132016
Visualizing energy landscapes with metric disconnectivity graphs
LC Smeeton, MT Oakley, RL Johnston
Journal of computational chemistry 35 (20), 1481-1490, 2014
132014
Lattice models of peptide aggregation: Evaluation of conformational search algorithms
MT Oakley, JM Garibaldi, JD Hirst
Journal of computational chemistry 26 (15), 1638-1646, 2005
132005
Energy Landscapes and Global Optimization of Self-Assembling Cyclic Peptides
MT Oakley, RL Johnston
Journal of Chemical Theory and Computation 10 (4), 1810-1816, 2014
112014
Protein Structure Optimisation With a "Lamarckian" Ant Colony Algorithm.
MT Oakley, EG Richardson, H Carr, RL Johnston
IEEE/ACM transactions on computational biology and bioinformatics/IEEE, ACM, 2013
102013
Chiral effects on helicity studied via the energy landscape of short (d, l)-alanine peptides
S Neelamraju, MT Oakley, RL Johnston
The Journal of chemical physics 143 (16), 10B618_1, 2015
82015
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Articles 1–20