KL
Publications
- Open Data, Open Source and Open Standards in chemistry: The Blue Obelisk five years on DOI: 10.1186/1758-2946-3-37
- Selective disordering of lamella-forming diblock copolymers under an electric field DOI: 10.1039/c0sm01395a
- The Ethidium-UA/AU Intercalation Site: Effect of Model Fragmentation and Backbone Charge State DOI: 10.1021/ct200121f
- cclib: A library for package-independent computational chemistry algorithms DOI: 10.1002/jcc.20823
- Intriguing relations of interaction energy components in stacked nucleic acids DOI: 10.1063/1.2786983
- Physical nature of ethidium and proflavine interactions with nucleic acid bases in the intercalation plane DOI: 10.1021/jp056836b
- A continuous-time random-walk approach to the Cole-Davidson dielectric response of dipolar liquids ISSN: 0587-4254
- Quantitative evaluation of 52 kD Ro/SS-A intracellular distribution in keratinocytes exposed to UVB radiation ISSN: 0078-5466
- Mesoscale modeling of block copolymer nanocomposites DOI: 10.1039/C2SM07293A
- Robust Predictive Power of the Electrostatic Term at Shortened Intermolecular Distances DOI: 10.1021/jz301146v
- Electric Field Induced Selective Disordering in Lamellar Block Copolymers DOI: 10.1021/nn3059604
- Low cost prediction of relative stabilities of hydrogen bonded complexes from atomic multipole moments for overly short intermolecular distances DOI: 10.1002/jcc.23326
- Hierarchical Structuring in Block Copolymer Nanocomposites through Two Phase-Separation Processes Operating on Different Time Scales DOI: 10.1002/adfm.201300091
- Non-Empirical Energetic Analysis of Reactivity and Covalent Inhibition of Fatty Acid Amide Hydrolase DOI: 10.1021/jp401834v