Selectin-ligand interactions are crucial to such biological processes as inflammatory cascade or tumor metastasis. How transient formation and dissociation of selectin-ligand bonds in blood flow are coupled to molecular conformation at atomic level, however, has not been well understood. In this study, steered molecular dynamics (SMD) simulations were used to elucidate the intramolecular and in...

The conjugated structure of carbon is used in chemical sensing and small molecule catalysis because its high charge transfer ability, the interaction between materials molecules main factor determining performance catalytic reactions. In this work, Reduced Density Gradient (RDG) Symmetry-Adapted Perturbation Theory (SAPT) energy decomposition methods were combination to investigate heterogeneit...

This is a small pattern language for running online trainings. The language starts with an entry pattern ONLINE TRAINING. All other patterns are supporting this pattern and help to make online trainings more alive. Some of the patterns are not exclusive for online uses, for instance PREPARED EXAMPLE or TEST RUN. These patterns could be part of a pattern language for trainings as well. They are ...