Search for dissertations about: "Octav Caldararu"

Found 1 swedish dissertation containing the words Octav Caldararu.

2. 1. Bridging the gap between computational chemistry and macromolecular crystallography

   Author : Octav Caldararu; Beräkningskemi; []
   Keywords : NATURVETENSKAP; NATURAL SCIENCES; Protein structure; X-ray crystallography; Neutron crystallography; Quantum mechanics; QM MM; Quantum refinement; Ensemble refinement; Water structure;

   Abstract : Knowledge of the atomic structure of biomolecules, such as proteins, is paramount to understanding their function and interactions in the human body. For example, knowledge of the atomic structure of a target protein is crucial for developing drugs that bind strongly to it and thus help cure diverse diseases. READ MORE