national greenhouse gas inventories (2008)
M. Gillenwater, F. Sussman, J. Cohen
applications of uncertainty analysis for
Solvation effects are responsible for the reduced inhibitor affinity of some HIV-1 PR mutants (1997)
On the ion selectivity in Ca-binding proteins: the cyclo(-L-Pro-Gly-)3 peptide as a model.
Calcium plays a crucial role in many cellular processes. Its functions are directly dependent on the high specificity for Ca2+ exhibited by the proteins and ion carriers that bind divalent ions. To...
Toward computer-aided site-directed mutagenesis of enzymes.
A preliminary attempt to simulate the observed effect of a site-directed mutagenesis of rat trypsin gives encouraging results. The calculations reproduce in a semiquantitative way the observed change...
On the ion selectivity in Ca-binding proteins: the cyclo(-L-Pro-Gly-)3 peptide as a model.
Calcium plays a crucial role in many cellular processes. Its functions are directly dependent on the high specificity for Ca2+ exhibited by the proteins and ion carriers that bind divalent ions. To...
Toward computer-aided site-directed mutagenesis of enzymes.
A preliminary attempt to simulate the observed effect of a site-directed mutagenesis of rat trypsin gives encouraging results. The calculations reproduce in a semiquantitative way the observed change...
Lin, X., Loy, J. A., Sussman, F., Tang, J.
Pepsin contains, in a single chain, two conformationally homologous lobes that are thought to have been evolutionarily derived by gene duplication and fusion. We have demonstrated that the individual...
Nauchitel, V., Villaverde, M. C., Sussman, F.
We have developed a simple approach for the evaluation of the free energies of inhibitor binding to the protease of the human immunodeficiency virus (HIV-1 PR). Our algorithm is based on the...
Solvation effects are responsible for the reduced inhibitor affinity of some HIV-1 PR mutants.
Sussman, F., Villaverde, M. C., Davis, A.
The formulation of HIV-1 PR inhibitors as anti-viral drugs has been hindered by the appearance of protease strains that present drug resistance to these compounds. The mechanism by which the HIV-1 PR...