From Crystal Structures and Their Analysis to the in silico Prediction of Toxic Phenomena The contributions of the honoree to this concept are manifold. A thorough analysis of small-molecule crystal sructures has lead to the development of a directional force field for optimizing ligand-receptor complexes. The understanding of phenomena such as induced fit or dynamic binding have been pioneered by Professor Dunitz's analyses of dynamic properties extracted from ¿crystal statics'. His more-recent contributions to the understanding of solvation effects and entropic contributions to ligand bindi

• Autores: Angelo Vedani, Max Dobler, Markus A. Lill
• Localización: Helvetica chimica acta, ISSN 0018-019X, Vol. 86, Nº 5, 2003, págs. 1554-1568
• Idioma: alemán
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