Michael Feig Research Interests continued
However, it remains challenging to reach levels of accuracy that are comparable to experimental data unless structures from closely related sequences are available. We are working on new methods that allow the refinement of approximate predictions towards more native-like structures by using new enhanced sampling techniques in combination with an accurate energetic description.
In both cases, the use of an implicit solvent representation is very attractive, since such a model can maintain a realistic description of a biomolecule in aqueous solution without the computational expense of explicit solvent molecules. This allows the modeling of larger systems and/or over longer time scales at a similar level of detail. We are interested in continuing the development of new implicit solvent methodologies in order to improve the level of realism in complex environments.
Full text Feig Research Interests