New Advance in Computational Chemistry: Full Quantum Mechanical ab Initio Computation of Streptavidin−Biotin Interaction Energy-Reference-Cited by-同舟云学术

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New Advance in Computational Chemistry: Full Quantum Mechanical ab Initio Computation of Streptavidin−Biotin Interaction Energy

Published:2003-10-11 Issue:44 Volume:107 Page:12039-12041
ISSN:1520-6106
Container-title:The Journal of Physical Chemistry B
language:en
Short-container-title:J. Phys. Chem. B

Author:

Zhang Da W.¹,Xiang Yun¹,Zhang John Z. H.¹

Affiliation:

1. Department of Chemistry, New York University, New York, New York 10003

Publisher

American Chemical Society (ACS)

Subject

Materials Chemistry,Surfaces, Coatings and Films,Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/jp0359081

Reference33 articles.

1. Direct calculation of electron density in density-functional theory

2. Linear‐scaling semiempirical quantum calculations for macromolecules

3. Density Functional and Density Matrix Method Scaling Linearly with the Number of Atoms

4. Semiempirical molecular orbital calculations with linear system size scaling

5. Quantum mechanical/quantum mechanical methods. I. A divide and conquer strategy for solving the Schrödinger equation for large molecular systems using a composite density functional–semiempirical Hamiltonian

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