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Publications in Catalysis

A Physical Model for PDZ-domain/peptide Interactions

Journal of Molecular Modeling
Organic ChemistryTheoretical ChemistryInorganic ChemistryComputer Science ApplicationsMathematicsComputational TheoryCatalysisPhysical
2010English

Implications of Measurement Error Structure on the Visualization of Multivariate Chemical Data: Hazards and Alternatives

Canadian Journal of Chemistry
Organic ChemistryCatalysisChemistry
2018English

Parallel Implementation of 3D Protein Structure Similarity Searches Using a GPU and the CUDA

Journal of Molecular Modeling
Organic ChemistryTheoretical ChemistryInorganic ChemistryComputer Science ApplicationsMathematicsComputational TheoryCatalysisPhysical
2014English

Correction To: A DFT Study on the Mechanism of the Organocatalytic Synthesis of a Benzoxazine-Substituted Indolizine Derivative

Journal of Molecular Modeling
Organic ChemistryTheoretical ChemistryInorganic ChemistryComputer Science ApplicationsMathematicsComputational TheoryCatalysisPhysical
2019English

Welcome to the Year of the Periodic Table

Reaction Kinetics, Mechanisms and Catalysis
Theoretical ChemistryCatalysisPhysical
2019English

Phenylisoserine in the Gas-Phase and Water: Ab Initio Studies on Neutral and Zwitterion Conformers

Journal of Molecular Modeling
Organic ChemistryTheoretical ChemistryInorganic ChemistryComputer Science ApplicationsMathematicsComputational TheoryCatalysisPhysical
2010English

Corrigendum: Calculation of 7,12-Dimethyl-Benz[a]anthracene, Revisited

Canadian Journal of Chemistry
Organic ChemistryCatalysisChemistry
2018English

A Simple Azoquinoline Based Highly Selective Colorimetric Sensor for CN− Anion in Aqueous Media

Canadian Journal of Chemistry
Organic ChemistryCatalysisChemistry
2017English

Monte Carlo Simulations of a Polymer Chain Conformation. The Effectiveness of Local Moves Algorithms and Estimation of Entropy

Journal of Molecular Modeling
Organic ChemistryTheoretical ChemistryInorganic ChemistryComputer Science ApplicationsMathematicsComputational TheoryCatalysisPhysical
2013English

Molecular Dynamics Simulations Suggest Why the A2058G Mutation in 23S RNA Results in Bacterial Resistance Against Clindamycin

Journal of Molecular Modeling
Organic ChemistryTheoretical ChemistryInorganic ChemistryComputer Science ApplicationsMathematicsComputational TheoryCatalysisPhysical
2018English

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