Follow
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
1452002
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
782004
Symmetrisation schemes for global optimisation of atomic clusters
MT Oakley, RL Johnston, DJ Wales
Physical Chemistry Chemical Physics 15 (11), 3965-3976, 2013
682013
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
492003
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
432011
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
392013
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
392009
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
352015
Charge-transfer transitions in protein circular dichroism calculations
MT Oakley, JD Hirst
Journal of the American Chemical Society 128 (38), 12414-12415, 2006
352006
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
292013
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
262006
Visualizing energy landscapes with metric disconnectivity graphs
LC Smeeton, MT Oakley, RL Johnston
Journal of computational chemistry 35 (20), 1481-1490, 2014
252014
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
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
192016
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
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
162014
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
162007
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
162005
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
112015
The effect of nonnative interactions on the energy landscapes of frustrated model proteins
MT Oakley, DJ Wales, RL Johnston
Journal of Atomic, Molecular, and Optical Physics 2012, 2012
112012
The system can't perform the operation now. Try again later.
Articles 1–20