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New manuscript: Protein structure validation and refinement using amide proton chemical shifts derived from quantum mechanics - http://proteinsandwavefunction...
Frontiers in Theoretical and Computational Chemistry - http://proteinsandwavefunction...
Sorry Inorganic Chemistry: I only review for arXiv-friendly journals - http://proteinsandwavefunction...
Manuscript review: Interface of the polarizable continuum model of solvation with semi-empirical methods in the GAMESS program - http://proteinsandwavefunction...
Manuscript review: The Molecule Calculator: A web-server for fast quantum mechanics-based estimation of molecular properties - http://proteinsandwavefunction...
Gold opportunity for open access? - http://proteinsandwavefunction...
Computational Chemistry Highlights: April issue - http://molecularmodelingbasics...
Determining the distribution of multiple samples in python. - http://proteinsandwavefunction...
The entropy increases when things fall apart - http://proteinsandwavefunction...
The entropy increases when things fall apart
Obtaining a partial PLoS ONE fee waiver - http://proteinsandwavefunction...
2nd Danish Protein Molecular Modellers Meeting - http://proteinsandwavefunction...
Fragment size and computational efficiency in fragmentation methods - http://proteinsandwavefunction...
Professorship in Quantum Chemistry of Electronically Excited States at the University of Leuven - http://proteinsandwavefunction...
Computational Chemistry Highlights: March issue - http://molecularmodelingbasics...
DFT-D, DFT-D2 and DFT-D3: Density functional dispersion correction - http://molecularmodelingbasics...
Manuscript review: In Silico Screening of 393 Mutants Facilitates Enzyme Engineering of Amidase Activity in CalB - http://proteinsandwavefunction...
New Manuscript: Interface of the polarizable continuum model of solvation with semi-empirical methods in the GAMESS program - http://proteinsandwavefunction...
Paper in progress: Interface of the polarizable continuum model of solvation with semi-empirical methods in the GAMESS program - http://proteinsandwavefunction...
PhD Position in Theoretical/Computational Chemistry at the University of Southern Denmark - http://proteinsandwavefunction...
New Manuscript, Molecule Calculator (MolCalc) - http://proteinsandwavefunction...
RMSD and MUE versus Correlation Coefficient: a simple illustration of the difference - http://proteinsandwavefunction...
Computational Chemistry Highlights: February issue - http://molecularmodelingbasics...
Blogging needs to change: it'll be totally worth it! - http://proteinsandwavefunction...
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