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Publications in Inorganic Chemistry
Calculations of BODIPY Dyes in the Ground and Excited States Using the M06-2x and PBE0 Functionals
Journal of Molecular Modeling
Organic Chemistry
Theoretical Chemistry
Inorganic Chemistry
Computer Science Applications
Mathematics
Computational Theory
Catalysis
Physical
A Physical Model for PDZ-domain/peptide Interactions
Journal of Molecular Modeling
Organic Chemistry
Theoretical Chemistry
Inorganic Chemistry
Computer Science Applications
Mathematics
Computational Theory
Catalysis
Physical
Parallel Implementation of 3D Protein Structure Similarity Searches Using a GPU and the CUDA
Journal of Molecular Modeling
Organic Chemistry
Theoretical Chemistry
Inorganic Chemistry
Computer Science Applications
Mathematics
Computational Theory
Catalysis
Physical
Correction To: A DFT Study on the Mechanism of the Organocatalytic Synthesis of a Benzoxazine-Substituted Indolizine Derivative
Journal of Molecular Modeling
Organic Chemistry
Theoretical Chemistry
Inorganic Chemistry
Computer Science Applications
Mathematics
Computational Theory
Catalysis
Physical
Phenylisoserine in the Gas-Phase and Water: Ab Initio Studies on Neutral and Zwitterion Conformers
Journal of Molecular Modeling
Organic Chemistry
Theoretical Chemistry
Inorganic Chemistry
Computer Science Applications
Mathematics
Computational Theory
Catalysis
Physical
Monte Carlo Simulations of a Polymer Chain Conformation. The Effectiveness of Local Moves Algorithms and Estimation of Entropy
Journal of Molecular Modeling
Organic Chemistry
Theoretical Chemistry
Inorganic Chemistry
Computer Science Applications
Mathematics
Computational Theory
Catalysis
Physical
Molecular Dynamics Simulations Suggest Why the A2058G Mutation in 23S RNA Results in Bacterial Resistance Against Clindamycin
Journal of Molecular Modeling
Organic Chemistry
Theoretical Chemistry
Inorganic Chemistry
Computer Science Applications
Mathematics
Computational Theory
Catalysis
Physical
Theoretical Study of Hydrogen Bond Interactions of Fluvastatin With Ι-Carrageenan and Λ-Carrageenan
Journal of Molecular Modeling
Organic Chemistry
Theoretical Chemistry
Inorganic Chemistry
Computer Science Applications
Mathematics
Computational Theory
Catalysis
Physical
A Method for in Silico Identification of SNAIL/SLUG DNA Binding Potentials to the E-Box Sequence Using Molecular Dynamics and Evolutionary Conserved Amino Acids
Journal of Molecular Modeling
Organic Chemistry
Theoretical Chemistry
Inorganic Chemistry
Computer Science Applications
Mathematics
Computational Theory
Catalysis
Physical
Alkaline Glucose Oxidation on Nanostructured Gold Electrodes
Gold Bulletin
Materials Science
Inorganic Chemistry
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