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Protein structure optimization with a "Lamarckian" ant colony algorithm.Visualizing energy landscapes with metric disconnectivity graphsFirst-principles calculations of protein circular dichroism in the far-ultraviolet and beyond.Isomers and Energy Landscapes of Perchlorate-Water Clusters and a Comparison to Pure Water and Sulfate-Water Clusters.Exploring the Energy Landscapes of Cyclic Tetrapeptides with Discrete Path Sampling.Aromatic 4-tetrahydropyranyl and 4-quinuclidinyl cations. Linking Prins with Cope and Grob.A sequential molecular mechanics/quantum mechanics study of the electronic spectra of amides.Computational and experimental investigations into the conformations of cyclic tetra-α/β-peptides.Lattice models of peptide aggregation: evaluation of conformational search algorithms.First principles predictions of thermophysical properties of refrigerant mixtures.Additive and nonadditive models of vapor-liquid equilibrium in CO2 from first principles.Charge-transfer transitions in protein circular dichroism calculations.Calculations on the electronic excited states of ureas and oligoureasChiral effects on helicity studied via the energy landscape of short (D, L)-alanine peptidesStructures and Energy Landscapes of Hydrated Sulfate ClustersEnergy Landscapes and Global Optimization of Self-Assembling Cyclic Peptides
P50
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P50
description
researcher
@en
wetenschapper
@nl
հետազոտող
@hy
name
Mark T Oakley
@ast
Mark T Oakley
@en
Mark T Oakley
@es
Mark T Oakley
@nl
Mark T Oakley
@sl
type
label
Mark T Oakley
@ast
Mark T Oakley
@en
Mark T Oakley
@es
Mark T Oakley
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Mark T Oakley
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prefLabel
Mark T Oakley
@ast
Mark T Oakley
@en
Mark T Oakley
@es
Mark T Oakley
@nl
Mark T Oakley
@sl
P106
P31
P496
0000-0001-9816-7535