Docking by Monte Carlo minimization with a solvation correction: Application to an FKBP - substrate complex. - Amedeo Caflisch; Stefan Fischer 004; Martin Karplus (J. Comput. Chem., 1997)

Can the calculation of ligand binding free energies be improved with continuum solvent electrostatics and an ideal-gas entropy correction?. - Sonja M. Schwarzl; Thomas B. Tschopp; Jeremy C. Smith; Stefan Fischer 004 (J. Comput. Chem., 2002)

How well does charge reparametrisation account for solvent screening in molecular mechanics calculations? The example of myosin. - Sonja M. Schwarzl; Danzhi Huang; Jeremy C. Smith; Stefan Fischer 004 (Silico Biol., 2003)

Nonuniform charge scaling (NUCS): A practical approximation of solvent electrostatic screening in proteins. - Sonja M. Schwarzl; Danzhi Huang; Jeremy C. Smith; Stefan Fischer 004 (J. Comput. Chem., 2005)

Computing Best Transition Pathways in High-Dimensional Dynamical Systems: Application to the AlphaL leftrightharpoons Beta leftrightharpoons AlphaR Transitions in Octaalanine. - Frank Noé; Marcus Oswald; Gerhard Reinelt; Stefan Fischer 004; Jeremy C. Smith (Multiscale Model. Simul., 2006)