References
- Ren , J. S. , Esnouf , R. , Garman , E. , Somers , D. , Ross , O. , Kirby , I. , Keeling , J. , Darby , G. , Jones , Y. , Stuart , D. and Stammers , D. 1995 . “High Resolution Structures of HIV-1 RT from Four RT-inhibitor Complexes” . Nature Struct. Biol. , 2 : 293 – 302 .
- Ding , J. , Das , K. , Tantillo , C. , Zhang , W. , Clark , A. D. , Jessen , S. , Lu , X. , Hsiou , Y. , Jacobomolina , A. , Andries , K. , Pauwels , R. , Moereels , H. , Koymans , L. , Janssen , P. A. J. , Smith , R. H. , Koepke , M. K. , Michejda , C. J. , Hughes , S. H. and Arnold , E. 1995 . “Structure of HIV-1 Reverse Transcriptase in a Complex with the Non-nucleoside Inhibitor Alpha-APA R 95845 at 2.8 Angstrom Resolution” . Structure , 3 : 365 – 379 .
- Boyer , P. L. , Ferris , A. L. , Clark , P. , Whitmer , J. , Frank , P. , Tantillo , C. , Arnold , E. and Hughes , S. H. 1994 . “Mutational Analysis of the Fingers and Palm Subdomains of Human Immunodeficiency Virus Type-1 (HIV-1) Reverse Transcriptase” . J. Mol. Biol. , 243 : 472 – 483 .
- Pauwels , R. , Andries , K. , Janssen , P. A. J. and Arnold , E. 1994 . “Locations of Anti-AIDS Drug Binding Sites and Resistance Mutations in the Three-Dimensional Structure of HIV-1 Reverse Transcriptase – Implications for Mechanisms of Drug Inhibition and Resistance” . J. Mol. Biol. , 243 : 369 – 387 .
- Tantillo , C. , Ding , J. , Jacobo-Molina , A. , Nanni , R. G. , Boyer , P. L. , Hughes , S. H. , Pauwels , R. , Andries , K. , Janssen , P. A. J. and Arnold , E. 1994 . “Locations of Anti-AIDS Drug Binding Sites and Resistance Mutations in the Three-dimensional Structure of HIV-1 Reverse Transcriptase” . J. Mol. Biol. , 243 : 369 – 387 .
- Kohlstaedt , L. A. , Wang , J. , Friedman , J. M. , Rice , P. A. and Steitz , T. A. 1992 . “Crystal Structure at 3.5 Å Resolution of HIV-1 Reverse Transcriptase Complexed with an Inhibitor” . Science , 256 : 1783 – 1790 .
- Mager , P. P. and Walther , H. 1996 . “A Hydrophilic Ω-Loop (Tyr181 to Tyr188) in the Nonsubstrate Binding Area of HIV-1 Reverse Transcriptase” . Drug Design and Discovery , [in press]
- Sarabu , R. , Lovey , K. , Madison , V. S. , Frey , D. C. , Greeley , D. N. , Cook , C. M. and Olson , G. L. 1993 . Design, “Synthesis, and Three-Dimensional Structural Characterization of a Constrained Ω-Loop Excised from Interleukin-1α” . Tetrahedron , 29 : 3629 – 3640 .
- Mager , P. P. 1996 . “Molecular Simulation of the Folding Patterns of the Ω-Loop (Tyr181 to Tyr188) of HIV-1 Reverse Transcriptase” . Drug Design and Discovery , in press
- Allinger , N. L. and Yan , L. 1993 . “Molecular Mechanics (MM3). Calculation of Furan, Vinyl, Ethers, andRelated Compounds” . J. Am. Chem. Soc. , 115 : 11918 – 11925 .
- Tai , J. C. , Yang , L. and Allinger , N. L. 1993 . “Molecular Mechanics (MM3). Calculation on Nitrogen-Containing Aromatic Heterocyclics” . J. Am. Chem. Soc. , 115 : 11906 – 11917 .
- Weiner , S. J. , Kollman , P. A. , Nguyen , D. T. and Case , D. A. 1986 . “An All Atom Force Field for Simulations of Proteins and Nucleic Acids” . J. Comput. Chem. , 7 : 230 – 252 .
- Gasteiger , J. and Marsili , M. 1980 . “Iterative Partial Equalization of Orbital Electronegativity – a Rapid Access to Atomic Charges” . Tetrahedron , 36 : 3219 – 3288 .
- Frey , R. F. , Coffin , J. , Newton , S. Q. , Ramek , M. , Cheng , V. K. W. , Momany , F. A. and Schäfer , L. 1992 . “Importance of Correlation-Gradient Geometry Optimization for Molecular Conformational Analyses” . J. Am. Chem. Soc. , 114 : 5369 – 5377 .
- Mager , P. P. 1994 . “Interactive Multivariate Modelling of ArgGlyAsp (RGD) Derivatives” . Med. Res. Rev. , 14 : 75 – 126 .
- Brookhaven Protein Data Bank (PDB), files 3HVT.ENT and 1RTI. ENT.