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Density-functional Calculations of the Structure and Stability of C240

Phys. Rev. B: Condens. Matter, (1994) 49, 8526-8528
DOI: 10.1103/PhysRevB.49.8526 Download PDF

Simulations of the Solution Structure of the HIV-1 Protease in the Presence and Absence of Bound Zinc

J. Comput. Chem., (1994) 15, 61-71
DOI: 10.1002/jcc.540150108 Download PDF

The Effect of Long-range Electrostatic Interactions in Simulations of Macromolecular Crystals: A Comparison of the Ewald and Truncated List Methods

J. Chem. Phys., (1993) 99, 8345
DOI: 10.1063/1.465608 Download PDF

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

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