New Publications

Molecular Modeling Studies Suggest that Zinc Ions Inhibit HIV-1 Protease by Binding at Catalytic Aspartates

Environ. Health Perspect., (1993) 101, 246-250
DOI: 10.1289/ehp.93101246 Download PDF

Particle Mesh Ewald: An N⋅log(N) Method for Ewald Sums in Large Systems

J. Chem. Phys., (1993) 98, 10089
DOI: 10.1063/1.464397 Download PDF

Molecular Dynamics Simulation of HIV-1 Protease in a Crystalline Environment and in Solution

Biochemistry, (1993) 32, 1443-1453
DOI: 10.1021/bi00057a007 Download PDF

The Interaction of Na(I), Ca(II), and Mg(II) Metal Ions with Duplex DNA: A Theoretical Modeling Study

Int. J. Quantum Chem., (1992) 44, 145-166
DOI: 10.1002/qua.560440715 Download PDF