|
|
|
My group’s research focuses on design, development and application of new computational tools for Molecular Modeling and Drug Discovery. In particular we have developed a novel model for understanding the non-bonding interactions between biological molecules (HINT). We are creating new techniques for 3-Dimensional Quantitative Structure-Activity Relations (3D QSAR) and are investigating new algorithms for 3D molecular database encoding and searching. Also, since our laboratory, which is located in the Institute for Structural Biology and Drug Discovery, assembles one of the most extensive collections of graphics computers and modeling software available in the world, we are often
engaged in interesting and fruitful collaborative modeling projects. This group is devoted to the development and application of computational methodologies in the area of drug design and development. Our research focuses on the application of hydropathic forcefields to improve accuracy in structure building and refienment for macromolecular crystallography and/or NMR, by designing and developing software tools in collaborations with other biomedical professionals for the application of such technologies in areas of
scientific research.
|
|