ProQuaB

We are developing a new method for the calculation of protein movements, based on quaternions and on a Bayesian statistical approach. The method can be applied to all atoms models or simplified coarse grain models, and can accommodate parameters of any kind. The major advantage is that it is based on geometry, with energy calculations being introduced only at the second step, making it much faster and simpler relative to classical MD calculations. The method is still in development We are developing a new method for the calculation of protein movements, based on quaternions and on a Bayesian statistical approach. The method can be applied to all atoms models or simplified coarse grain models, and can accommodate parameters of any kind. The major advantage is that it is based on geometry, with energy calculations being introduced only at the second step, making it much faster and simpler relative to classical MD calculations. The method is still in development We are developing a new method for the calculation of protein movements, based on quaternions and on a Bayesian statistical approach. The method can be applied to all atoms models or simplified coarse grain models, and can accommodate parameters of any kind. The major advantage is that it is based on geometry, with energy calculations being introduced only at the second step, making it much faster and simpler relative to classical MD calculations. The method is still in development We are developing a new method for the calculation of protein movements, based on quaternions and on a Bayesian statistical approach. The method can be applied to all atoms models or simplified coarse grain models, and can accommodate parameters of any kind. The major advantage is that it is based on geometry, with energy calculations being introduced only at the second step, making it much faster and simpler relative to classical MD calculations. The method is still in development

Members:
Monica Maria Zoppe' (Principal investigator)