Optimal Charges in Lead Progression: A Structure-Based Neuraminidase Case Study-Reference-Cited by-同舟云学术

Optimal Charges in Lead Progression: A Structure-Based Neuraminidase Case Study

Published:2006-03-25 Issue:8 Volume:49 Page:2470-2477
ISSN:0022-2623
Container-title:Journal of Medicinal Chemistry
language:en
Short-container-title:J. Med. Chem.

Author:

Armstrong Kathryn A.¹,Tidor Bruce¹,Cheng Alan C.¹

Affiliation:

1. Biological Engineering Division, Computer Science and Artificial Intelligence Laboratory, and Department of Electrical Engineering and Computer Science, Massachusetts Institute of Technology, Cambridge, Massachusetts 02139, and Research Technology Center, Pfizer Global Research & Development, Cambridge, Massachusetts 02139

Publisher

American Chemical Society (ACS)

Subject

Drug Discovery,Molecular Medicine

Link

https://pubs.acs.org/doi/pdf/10.1021/jm051105l

Reference45 articles.

1. Calculation of the total electrostatic energy of a macromolecular system: Solvation energies, binding energies, and conformational analysis

2. Electrostatic Interactions in Macromolecules: Theory and Applications

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