Drug target interaction energies by the kernel energy method in aminoglycoside drugs and ribosomal A site RNA targets

Proceedings of the National Academy of Sciences of the United States of America

Volumn 104, Issue 11, 2007, Pages 4261-4266

  Huang, Lulu ^a   Massa, Lou ^b   Karle, Jerome ^a  

^a NAVAL RESEARCH LABORATORY   (United States)

^b CITY UNIVERSITY OF NEW YORK   (United States)

Author keywords

Biological molecules; Hartree Fock; Quantum mechanics

Indexed keywords

AMINOGLYCOSIDE; DNA; LIVIDOMYCIN; PEPTIDE; RNA; TOBRAMYCIN; RIBOSOME RNA;

AB INITIO CALCULATION; ARTICLE; CRYSTALLOGRAPHY; ENERGY; HYDROGEN BOND; KERNEL METHOD; MOLECULAR INTERACTION; PRIORITY JOURNAL; QUANTUM MECHANICS; BIOLOGICAL MODEL; CHEMICAL MODEL; CHEMICAL STRUCTURE; CHEMISTRY; CONFORMATION; DRUG EFFECT; DRUG INTERACTION; QUANTUM THEORY; RIBOSOME; STATISTICAL MODEL; X RAY CRYSTALLOGRAPHY;

AMINOGLYCOSIDES; CRYSTALLOGRAPHY, X-RAY; DRUG INTERACTIONS; HYDROGEN BONDING; MODELS, BIOLOGICAL; MODELS, CHEMICAL; MODELS, MOLECULAR; MODELS, STATISTICAL; MOLECULAR CONFORMATION; QUANTUM THEORY; RIBOSOMES; RNA; RNA, RIBOSOMAL;

EID: 34248353534     PISSN: 00278424     EISSN: None     Source Type: Journal    
DOI: 10.1073/pnas.0610533104     Document Type: Article

References (16)

1. Huang L, Massa L, Karle J (2005) Int J Quantum Chem 103:808-817.
2. Huang L, Massa L, Karle J (2006) Int J Quantum Chem 106:447-457.
3. Huang L, Massa L, Karle J (2005) Proc Natl Acad Sci USA 102:12690-12693.
4. Huang L, Massa L, Karle J (2005) Biochemistry 44:16747-16752.
5. Huang L, Massa L, Karle J (2006) Proc Natl Acad Sci USA 103:1233-1237.
6. Massa L, Huang L, Karle J (1995) Int J Quantum Chem Quantum Chem Symp 29:371-384.
7. Huang L, Massa L, Karle J (1996) J Int J Quantum Chem Quantum Chem Symp 30:1691-1700.
8. Huang L, Massa L, Karle J (1998) in Encyclopedia of Computational Chemistry, ed von Schleyer P (Wiley, New York), pp 1457-1470.
9. Karle J, Huang L, Massa L (1998) Pure Appl Chem 70:319-324.
10. Huang L, Massa L, Karle J (1999) Int J Quantum Chem 73:439-450.
11. Karle J, Huang L, Massa L (1999) in NATO Science Series C: Mathematical and Physical Sciences, ed Tsoucaris G (Springer, New York), Vol 519, pp 1-5.
12. Huang L, Massa J, Karle J (2001) IBM J Res Dev 45:409-415.
13. Huang L, Massa L, Karle J (1999) J Mol Struct 474:9-12.
14. Russell R, Murray J, Lentzen, G. Haddad, J. Mobashery S (2003) J Am Chem Soc 125:3410-3411.
15. Vic ns Q, Westhof E (2002) Chem Biol 9:747-755.
16. Francois B, Russell R, Murray J, Masquida, B. Vicens Q, Westhof E (2005) Nucleic Acid Res 17:5677-5690.