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Gao, Jiali Structure and dynamics of organic molecules and biomolecules in solution; hybrid quantum mechanics/molecular mechanics methods. (University of Minnesota) http://vesta.chem.umn.edu/ Umn.edu  ~   Site Info   Whois   Trace Route   RBL Check   Truhlar, Donald G. Potential energy surfaces for chemical reaction dynamics; transition state theory with an emphasis on isotope effects and tunneling corrections. http://comp.chem.umn.edu/truhlar/ Umn.edu  ~   Site Info   Whois   Trace Route   RBL Check   Jorgensen, William L. Studies of organic reactions in solution and in enzymes using Monte Carlo and semiempirical QM/MM simulations. (Yale University) http://zarbi.chem.yale.edu/ Yale.edu  ~   Site Info   Whois   Trace Route   RBL Check   Tidor, Bruce Structure and properties of proteins, nucleic acids, and their complexes. Investigations probe the sources of stability and specificity that drive folding and binding events of macromolecules. (Massachusetts Institute of Technology) http://mit.edu/tidor/ Mit.edu  ~   Site Info   Whois   Trace Route   RBL Check   Allinger, Norman Molecular mechanics, particularly the MM2, MM3, and MM4 force fields. (University of Georgia) http://europa.chem.uga.edu/ Uga.edu  ~   Site Info   Whois   Trace Route   RBL Check   Case, David A. Computer modeling of the structure and dynamics of proteins and nucleic acids. (Scripps Research Institute). http://www.scripps.edu/mb/case/ Scripps.edu  ~   Site Info   Whois   Trace Route   RBL Check   Thiel, Walter Ab initio, density functional and semiempirical methods; QM/MM simulations. (Max Planck Institute for Bioinorganic Chemistry) http://www.mpi-muelheim.mpg.de/kofo/institut/arbeitsbereiche/thiel/english/thiel_e.html Mpg.de  ~   Site Info   Whois   Trace Route   RBL Check   Jurs, Peters C. Computer-assisted methods for investigating relationships linking molecular structures of organic compounds with their physicochemical properties or biological activities. (Penn State University) http://research.chem.psu.edu/pcjgroup/ Psu.edu  ~   Site Info   Whois   Trace Route   RBL Check   van Gunsteren, Wilfred F. Molecular dynamics simulations of biomolecular systems. (ETH Hönggerberg) http://www.igc.ethz.ch/ Ethz.ch  ~   Site Info   Whois   Trace Route   RBL Check   Gasteiger Group Computer-representation of chemical structures and reactions. Simulation of chemical reactions and synthesis design. Calculation of fundamental physicochemical effects. Methods for the discovery and optimization of lead structures. Simulation and analys http://www2.chemie.uni-erlangen.de/index.html Uni-erlangen.de  ~   Site Info   Whois   Trace Route   RBL Check