Directory: Top/Science/Chemistry/Computational/Research

Top / Science / Chemistry / Computational / Research_Groups /

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