Computational Chemistry
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- 2012
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Mark
Liquid Crystal Phases in Suspensions of Charged Plate-Like Particles
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- Contribution to journal › Article
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Mark
A simple many-body Hamiltonian for polymer-colloid mixtures: simulations and mean-field theory
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- Contribution to journal › Article
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Binding affinities in the SAMPL3 trypsin and host-guest blind tests estimated with the MM/PBSA and LIE methods.
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- Contribution to journal › Article
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Will molecular dynamics simulations of proteins ever reach equilibrium?
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- Contribution to journal › Article
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Light-harvesting and electronic contacting capabilities of Ru(II) Ipa rod and star complexes-first principles predictions
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- Contribution to journal › Article
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Mark
On the Possibility of Uphill Intramolecular Electron Transfer in Multicopper Oxidases: Electrochemical and Quantum Chemical Study of Bilirubin Oxidase
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- Contribution to journal › Article
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Mark
Transferability of conformational dependent charges from protein simulations
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- Contribution to journal › Article
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The Carbohydrate-Binding Site in Galectin-3 Is Preorganized To Recognize a Sugarlike Framework of Oxygens: Ultra-High-Resolution Structures and Water Dynamics
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- Contribution to journal › Article
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coating on adherence of Streptococcus oralis strains to titanium
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- Contribution to journal › Article
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Theoretical Prediction of the Capacitance of Ionic Liquid Films
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- Contribution to journal › Article