Journals

1. Computers and Chemistry
   • Pergamon Press, Inc., 660 White Plains Road, Tarrytown, NY 10591-5153

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2. Journal of Medicinal Chemistry
   • The American Chemical Society, P.O. Box 3337, Columbus, OH 43210

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3. Nature Structural Biology
   • Subscription Department, 65 Bleecker Street, New York, NY 10012

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4. Protein Engineering
   • Oxford University Press, P.O. Box Q, McLean, VA 22101-0850

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5. Protein Science
   • Cambridge University Press, Journal Fulfillment Department, 110 Midland Ave., Port Chester, NY 10573-9864

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6. Proteins: Structure, Function, and Genetics
   • John Wiley & Sons, Inc., Subscription Department, 9th Floor, 605 Third Ave., New York, NY 10158-0012

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7. The Journal of Computational Chemistry
   • John Wiley & Sons, Inc., 605 Third Avenue, New York, NY 10158

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8. The Journal of Computer-Aided Molecular Design
   • ESCOM Science Publishers B.V., P.O. Box 214, 2300 AE Leiden, The Netherlands

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9. The Journal of Molecular Graphics
   • Journals Fulfillment Department, Butterworths, 80 Montvale Ave., Stoneham, MA 02180

Books

1. Boyd, D.B. & K.B. Lipkowitz, Eds.
   • "Reviews in Computational Chemistry" Vols. 1-9
   • VCH Publishers, 220 East 23rd St., Ste. 909, New York, NY 10010

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2. Branden, C. & J. Tooze
   • "Introduction to Protein Structure"
   • Garland Publishing, New York, NY 10010

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3. Bristol, J.A., Ed.
   • "Annual Reports in Medicinal Chemistry", Vols. 1-29
   • Academic Press, 1250 Sixth Ave., San Diego, CA 92101

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4. Creighton, T.E.
   • "Proteins"
   • W.H. Freeman & Company, 41 Madison Ave., New York, NY.

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5. Dunn III, W.J., J.H. Block, & R.S. Pearlman, Eds.
   • "Partition Coefficient, Determination and Estimation"
   • Pergamon Press, Maxwell House, Fairview Park, Elmsford, New York 10523

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6. Fersht, A.
   • "Enzyme Structure and Mechanism"
   • W.H. Freeman & Company, 41 Madison Ave., New York, NY 10010

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7. Flannery, B.P., S.A. Teukolsky, & W.T. Vetterling
   • "Numerical Recipes"
   • W.H. Press, Cambridge University Press, 32 East 57th St., New York, NY 10022

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8. Foresman, J.B. & A. Frisch
   • "Exploring Chemistry with Electronic Structure Methods: A Guide to Using Gaussian"
   • Gaussian, Inc., 4415 Fifth Avenue, Pittsburgh, PA 15213

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9. Gribskov, M. & J. Devereux, Eds.
   • "Sequence Analysis Primer"
   • Stockton Press, 15 E. 26th Street, New York, NY 10010

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10. Krogsgaard-larsen, P. & H. Bundgaard, Eds.
    • "A Textbook of Drug Design and Development"
    • Harwood Academic Publishers, 5301 Tacony St., Drawer 330, Philadelphia, PA 19137

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11. Langone, J.J.
    • "Molecular Design and Modeling: Concepts and Applications. Part B: Antibodies and Antigens, Nucleic Acids, Polysaccharides, and Drugs"
    • in "Methods in Enzymology", Vol. 203, Academic Press, 1250 Sixth Ave., San Diego, CA 92101

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12. Lowe, J.P.
    • "Quantum Chemistry"
    • Academic Press, 111 Fifth Ave., New York, NY 10003

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13. McWeeny, R.
    • "Methods of Molecular Quantum Mechanics, 2nd Edition"
    • Academic Press, 111 Fifth Ave., New York, NY 10003

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14. Mislow, K.
    • "Introduction to Stereochemistry"
    • W.A. Benjamin, New York, NY

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15. Morrison, R.T. & R.N. Boyd
    • "Organic Chemistry"
    • Allyn & Bacon, Boston MA

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16. Perutz, M.
    • "Protein Structure"
    • W.H. Freeman & Company, 660 Market Street, San Francisco, CA 94104

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17. Rhodes, G.
    • "Crystallography Made Crystal Clear"
    • Academic Press, 1250 Sixth Ave., San Diego, CA 92101-4311

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18. Szabo, A. & N. Ostlund
    • "Modern Quantum Chemistry, First Edition (Revised)"
    • McGraw-Hill, New York, NY

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19. Sarma, R.H., Ed.
    • "Nucleic Acid Geometry and Dynamics"
    • Pergamon Press, 660 White Plains Road, Tarrytown, NY 10591-5153

Newsletters

1. "QCPE Bulletin"
   • Quantum Chemistry Program Exchange, Creative Arts Building 181, Indiana University, Bloomington, IN 47405

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2. "Protein Data Bank Quarterly Newsletter"
   • Chemistry Department, Building 555, Brookhaven National Laboratory, P.O. Box 5000, Upton, NY 11973-5000

Articles

1. Andres, P.R., D.J. Craik, & J.L. Martin
   • Functional Group Contributions to Drug-Receptor Interactions
   • Journal of Medicinal Chemistry, 27, 1648-1657 (1984)

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2. Balaji, P.V., P.K. Qasba, & V.S.R. Rao
   • Molecular Dynamics Simulations of Asialoglycoprotein Receptor Ligands
   • Biochemistry, 32, 12599 (1993)

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3. Baldwin, J.M.
   • The Probable Arrangement of the Helices in G Protein-Coupled Receptors
   • The EMBO Journal, 12, 1693 (1993)

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4. Baldwin, J.M.
   • Structure and Function of Receptors Coupled to G Proteins
   • Current Opinion in Cell Biology, 6, 180 (1994)

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5. Ballesteros, J.A. & H. Weinstein
   • Analysis and Refinement of Criteria for Predicting the Structure and Relative Orientations of Transmembranal Helical Domains
   • Biophysical Journal, 62, 107 (1992)

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6. Biou, V., J.F. Gibrat, J.M. Levin, B. Robson, & J. Garnier
   • Secondary Structure Prediction: Combination of Three Different Methods
   • Protein Engineering, 2, 185-191 (1988)

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7. Blaney, J.M. & J.S. Dixon
   • Receptor Modeling by Distance Geometry
   • in "Annual Reports in Medicinal Chemistry", J.A. Bristol, Ed., Vol. 26, 281, Academic Press, San Diego, CA (1991)

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8. Blin, N., L. Camoin, B. Maigret, & A.D. Strossberg
   • Structural and Conformational Features Determining Selective Signal Transduction in the Beta 3-Adrenergic Receptor
   • Molecular Pharmacology, 44, 1094 (1993)

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9. Bohm, H., G. Klebe, T. Lorenz, T. Mietzner, & L. Siggel
   • Different Approaches to Conformational Analysis: A Comparison of Completeness, Efficiency, and Reliability Based on the Study of a Nine-Membered Lactam
   • Journal of Computational Chemistry, 11(9), 1021-1028 (1990)

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10. Bordo, D. & P. Argos
    • Evolution of Protein Cores - Constraints in Point Mutations as Observed in Globin Tertiary Structures
    • Journal of Molecular Biology, 211, 975-988 (1990)

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11. Bordo, D. & P. Argos
    • Suggestions for "Safe" Residue Substitutions in Site-directed Mutagenesis
    • Journal of Molecular Biology, 217, 721-729 (1991)

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12. Bowie, J.U., R. Luthy, & D. Eisenberg
    • A Method to Identify Protein Sequences That Fold into a Known Three-Dimensional Structure
    • Science, 253, 164 (1991)

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13. Brennan, R.G. & B.W. Matthews
    • Structural Basis of DNA-Protein Recognition
    • Trends in Biochemical Science, 14, 286 (1989)

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14. Brooks, B.R., R.E. Bruccoleri, B.D. Olafson, D.J. States, S. Swaminathan, & M. Karplus
    • CHARMM; A Program for Macromolecular Energy, Minimization, and Dynamics Calculations
    • Journal of Computational Chemistry, 4, 187 (1983)

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15. Brooks, B.R. & M. Hodoscek
    • Parallelization of CHARMM for MIMD Machines
    • Chemical Design Automation News, 7(12), 16-22 (1992)

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16. Clark, M., R.D. Cramer III, & N. Van Opdenbosch
    • Validation of the General Purpose Tripos 5.2 Force Field
    • Journal of Computational Chemistry, 10(8), 982 (1989)

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17. Crippen, G.M.
    • Conformational Analysis by Energy Embedding
    • Journal of Computational Chemistry, 3(4), 471-476 (1982)

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18. Dahl, S.G., O. Edvardsen, & I. Sylte
    • Molecular Dynamics of Dopamine at the D2 Receptor.
    • Proceedings of the National Academy of Sciences USA, 88, 8111 (1991)

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19. De Vos, A.M., M. Ultsch, A.A. Kossiakoff
    • Human Growth Hormone and Extracellular Domain of its Receptor: Crystal Structure of the Complex
    • Science, 255, 306 (1992)

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20. Dhanaraj, V., et. al.
    • X-ray Analyses of Peptide-Inhibitor Complexes Define the Structural Basis of Specificity for Human and Mouse Renins.
    • Nature, 357, 466 (1992)

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21. Dohlman, H.G., J. Thorner, M.G. Caron, & R.J. Lefkowitz
    • Model Systems for the Study of Seven-Transmembrane-Segment Receptors
    • in "Annual Review of Biochemistry", Vol. 60, 653, Annual Reviews, Inc., Palo Alto, CA (1991)

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22. Donnelly, D., J.B.C. Findlay, & T. Blundell
    • The Evolution and Structure of Aminergic G Protein-coupled Receptors
    • Receptors and Channels, 2, 61-78 (1994)

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23. Donnelly, D., M.S. Johnson, T.L. Blundell, & J. Saunders
    • An Analysis of the Periodicity of Conserved Residues in Sequence Alignments of G-protein Coupled Receptors - Implications for the Three-dimensional Structure
    • FEBS Letters, 251, 109-116 (1989)

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24. Donnelly, D. & R.J. Cogdell
    • Predicting the Point at Which Transmembrane Helices Protrude From the Bilayer: A Model of the Antenna Complexes From Photosynthetic Bacteria
    • Protein Engineering, 6, 629-635 (1993)

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25. Edvardsen, O., I. Sylte, & S.G. Dahl
    • Molecular Dynamics of Serotonin and Ritanserin Interacting with the 5-HT2 Receptor
    • Molecular Brain Research, 14, 166 (1992)

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26. Fesik, S.W.
    • NMR Studies of Molecular Complexes as a Tool in Drug Design
    • Journal of Medicinal Chemistry, 34(10), 2937-2945 (1991)

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27. Findlay, J. & E. Eliopoulos
    • Three-Dimensional Modelling of G Protein-Linked Receptors
    • Trends in Pharmacological Science, 11, 492 (1990)

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28. Fischer, D., R. Norel, H. Wolfson, & , R. Nussinov
    • Surface Motifs by a Computer Vision Technique: Searches, Detection, and Implications for Protein-Ligand Recognition.
    • Proteins, 16, 278 (1993)

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29. Frauenfelder, H., S.G. Sligar, & P.G. Wolynes
    • The Energy Landscapes and Motions of Proteins
    • Science, 254, 1599 (1991)

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30. Gray, T.M. & B.W. Matthews
    • Intrahelical Hydrogen Bonding of Serine, Threonine, and Cysteine Residues Within Alpha-Helices and its Relevance to Membrane-bound Proteins
    • Journal of Molecular Biology, 175, 75-81 (1984)

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31. Guida, W.C.
    • Software for Structure-based Drug Design
    • Current Opinion in Structural Biology, 4, 777-781 (1994)

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32. Harris, L.F., M.R. Sullivan, P. Popken-Harris, & D.F. Hickok
    • Molecular Dynamics Simulations in Solvent of the Glucocorticoid Receptor Protein in Complex With a Glucocorticoid Response Element DNA Sequence
    • Journal of Biomolecular Structure and Dynamics 12, 249-270 (1994)

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33. Henry, A.H., J.T. Pedersen, S.M.J. Searle, B. Guild, M. Roguska, & A.R. Rees
    • Rational Reshaping of a Mouse Antibody
    • in "Advances in Gene Technology: Protein Engineering and Beyond", Proceedings of the 1993 Miami Bio/Technology Winter Symposium, Protein Engineering (Supplement), 6, 1 (1993)

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34. Jarvis, J.A., S. Munro, & D.J. Craik
    • Homology Model of Thyroxine Biding Globulin and Elucidation of the Thyroid Hormone Binding Site
    • Protein Engineering, 5, 61 (1992)

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35. Kasinos, N., G.A. Lilley, N. Subbarao, & I. Haneef
    • A Robust and Efficient Automated Docking Algorithm for Molecular Recognition
    • Protein Engineering, 5, 69 (1992)

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36. Keepers, J.W., P.A. Kollman, P.K. Weiner, & T.L. James
    • Molecular Mechanical Studies of DNA Flexibility: Coupled Backbone Torsion Angles and Base-Pair Openings
    • Proceedings of the National Academy of Science USA, 79, 5537 (1982)

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37. Kim, J., J. Wess, A.M. van Rhee, T. Shoneberg, and K.A. Jacobson
    • Recognition in the Human A2a Adenosine Receptor
    • J. Biol. Chem., 270, 13987 (1995)

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38. Klimkowski, V.J., L. Schafer, & J.N. Scarsdale
    • Ab initio Studies of Structural Features Not Easily Amenable to Experiment
    • Journal of Molecular Structure (Theochem), 109, 311-320 (1984)

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39. Kuhl, F.S., G.M. Crippen, & D.K. Friesen
    • A Combinatorial Algorithm for Calculating Ligand Binding
    • Journal of Computational Chemistry, 5(1), 24-34 (1984)

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40. Kuntz, I.D.
    • Structure-Based Strategies for Drug Design and Discovery
    • Science, 257, 1078 (1992)

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41. Kuntz, I.D., E.C. Meng, & B.K. Shoichet
    • Structure-Based Molecular Design
    • Accounts of Chemical Research, 27, 117 (1994)

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42. Kuntz, I.D., J.M. Blaney, S.J. Oatley, R. Langridge, & T.E. Ferrin
    • A Geometric Approach to Macromolecule-Ligand Interactions
    • Journal of Molecular Biology, 161, 269-288 (1982)

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43. Laughton, C.A.
    • A Study of Simulated Annealing Protocols for Use with Molecular Dynamics in Protein Structure Prediction
    • Protein Engineering, 7, 235 (1994)

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44. Lee, C. & M. Levitt
    • Accurate Prediction of the Stability and Activity Effects of Site-Directed Mutagenesis on a Protein Core
    • Nature, 352, 448 (1991)

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45. Lee, R.H.
    • Protein Model Building Using Structural Homology
    • Nature, 356, 543 (1992)

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46. Lee, Y.S., R. Pearlstein, & P.F. Kador
    • Molecular Modeling Studies of Aldose Reductase Inhibitors
    • Journal of Medicinal Chemistry, 37, 787 (1994)

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47. Lewis, R.A., D.C. Roe, C. Huang, T.E. Ferrin, R. Langridge, & I.D. Kuntz
    • Automated Site-Directed Drug Design Using Molecular Lattices
    • Journal of Molecular Graphics, 10, 66 (1992)

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48. Lin, S.L., R. Nussinov, D. Fischer, & H.J. Wolfson
    • Molecular Surface Representations by Sparse Critical Points
    • Proteins, 18, 94 (1994)

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49. Max, N.L., D. Malhotra, & A. Hopfinger
    • Computer Graphics and the Generation of DNA Conformations for Intercalation Studies
    • Computers & Chemistry, 5, 19 (1981)

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50. Meng, E.C., B.K. Shoichet, & I.D. Kuntz
    • Automated DOCKING with Grid-Based Energy Evaluation
    • Journal of Computational Chemistry 13, 505 (1992)

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51. Merritt, E.A. & M.E.P. Murphy
    • Raster3D Version 2.0: A Program for Photorealistic Molecular Graphics
    • Acta Crystallographica D50, 869 (1994)

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52. Miller, K.J., P. Kowalczyk, W. Segmuller, & G. Walker
    • Interactions of Molecules with Nucleic Acids. VII. Evaluation and Presentation of Steric Contours and Molecules in Bonding Sites
    • Journal of Computational Chemistry 4(3), 366-378 (1983)

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53. Milne, G.W.A., M.C. Nicklaus, J.S. Driscoll, S. Wang, & D. Zaharevitz
    • The NCI Drug Information System 3D Database
    • Journal of Chemical Information and Computer Science (in press).

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54. Mohamadi, F., N.G.J. Richards, W.C. Guida, R. Liskamp, M. Lipton, C. Caufield, G. Chang, T. Hendrickson, & W.C. Still
    • MacroModel - An Integrated Software System for Modeling Organic and Bioorganic Molecules Using Molecular Mechanics
    • Journal of Computational Chemistry 11, 440 (1990)

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55. Mulholland, A.J., G.H. Grant, & W.G. Richards
    • Computer Modelling of Enzyme Catalyzed Reaction Mechanisms
    • Protein Engineering, 6, 133 (1993)

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56. Nakata, Y., & A. Hopfinger
    • Predicted Mode of Intercalation of Doxorubicin with Dinucleotide Dimers
    • Biochemical and Biophysical Research Communications, 95, 583 (1980)

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57. Norel, R., D. Fischer, H.J. Wolfson, & R. Nussinov
    • Molecular Surface Recognition by a Computer Vision-Based Technique
    • Protein Engineering, 7, 39 (1994)

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58. Oliveira, L., A.C.M. Paiva, C. Sander, & G. Vriend
    • A Common Step for Signal Transduction in G Protein-coupled Receptors
    • Trends in Pharmacological Science, 15, 170-172 (1994)

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59. Paine, G.H. & H.A. Scheraga
    • Prediction of the Native Conformation of a Polypeptide by a Statistical-Mechanical Procedure. I. Backbone Structure of Enkephalin
    • Biopolymers, 24, 1391 (1985)

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60. Pardo, L., J.A. Ballesteros, R. Osman, & H. Weinstein
    • On the Use of the Transmembrane Domain of Bacteriorhodopsin as a Template for Modeling the Three-dimensional Structure of Guanine Nucleotide-Binding Regulatory Protein-Coupled Receptors
    • Proceedings of the National Academy of Science USA, 89, 4009 (1992)

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61. Peishoff, C.E., J.S. Dixon, & K.D. Kopple
    • Application of the Distance Geometry Algorithm to Cyclic Oligopeptide Conformation Searches
    • Biopolymers, 30, 45-56 (1990)

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62. Smolyar, A. & R. Osman
    • Role of Threonine 342 in Helix 7 of the 5-Hydroxytryptamine Type 1D Receptor in Ligand Binding: An Indirect Mechanism for Receptor Selectivity.
    • Molecular Pharmacology, 44, 882-885 (1993)

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63. Ramos, M.J.
    • Model Structure for the Human Blood Coagulation Agent Beta-Factor XIIa
    • Journal of Molecular Graphics, 9, 92 (1992)

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64. Reid, R.H., C.A. Hooper, & B.R. Brooks
    • Computer Simulations of a Tumor Surface Octapeptide Epitope
    • Biopolymers, 28, 525-530 (1989)

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65. Richardson, J.S. & D.C. Richardson
    • The De Novo Design of Protein Structures
    • Trends in Biochemical Science, 14, 304 (1985)

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66. Ring, C.S., E. Sun, J.H. McKerrow, G.K. Lee, P.J. Rosenthal, I.D. Kuntz, & F.E. Cohen
    • Structure-Based Inhibitor Design by Using Protein Models for the Development of Antiparasitic Agents
    • Proceedings of the National Academy of Sciences USA, 90, 3583 (1993)

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67. Rotstein, S.H. & M.A. Murcko
    • GroupBuild: A Fragment-Based Method for De Novo Drug Design
    • Journal of Medicinal Chemistry, 36, 1700 (1993)

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68. Sankararamakrishnan, R. & S. Vishveshwara
    • Geometry of Proline-Containing Alpha-Helices in Proteins
    • International Journal of Peptide and Protein Research, 39, 356 (1992)

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69. Saunders, M., K.N. Houk, Y. Wu, W.C. Still, M. Lipton, G. Chang, & W.C. Guida
    • Conformations of Cycloheptadecane. A Comparison of Methods for Conformational Searching
    • Journal of the American Chemical Society, 112, 1419-1427 (1990)

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70. Sayle, R. & A. Bissell
    • RasMol: A Program for Fast Realistic Rendering of Molecular Structures With Shadows
    • in "Proceedings of the 10th Eurographics UK '92 Conference", University of Edinburgh, Scotland, April 1992

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71. Scheraga, H.
    • Influence of Interatomic Interactions on the Structure and Stability of Polypeptides and Proteins
    • Biopolymers, 20, 1877 (1981)

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72. Schertler, G.F.X., C. Villa, & R.Henderson
    • Projection Structure of Rhodopsin
    • Nature, 362, 770 (1993)

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73. Shenker, A., L. Laue, S. Kosugi, J.J. Merendino Jr., T. Minegishi, & G.B. Cutler Jr.
    • A Constitutively Activating Mutation of the Luteinizing Hormone Receptor in Familial Male Precocious Puberty
    • Nature, 365, 652 (1993)

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74. Shiratori, Y., S. Nakagawa, H. Hori, K. Murakami, & H. Umeyama
    • Protein Modeling of Human Prorenin Using the Molecular Dynamics Method
    • Journal of Molecular Graphics, 8, 163 (1990)

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75. Shoichet, B.K., R.M. Stroud, D.V. Santi, I.D. Kuntz, & K.M. Perry
    • Structure-Based Discovery of Inhibitors of Thymidylate Synthase
    • Science, 259, 1445 (1993)

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76. Steinbach, P.J. & B.R. Brooks
    • New Spherical-Cutoff Methods for Long-Range Forces in Macromolecular Simulation
    • Journal of Computational Chemistry, 15, 667 (1994)

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77. Stewart, J.P.
    • Semiempirical Molecular Orbital Methods
    • in "Reviews in Computational Chemistry", Vol. 1, 45, D.B. Boyd & K.B. Lipkowitz, Eds., VCH Publishers, New York (1990)

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78. Strader, C.D., T. Fong, M.R. Tota, & D. Underwood
    • Structure and Function of G Protein-coupled Receptors
    • in "Annual Review of Biochemistry", Vol. 63, 101-132, Annual Reviews, Inc., Palo Alto, CA (1994)

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79. Strauss, H.L.
    • Pseudorotation: A Large Amplitude Molecular Motion
    • in "Annual Review of Physical Chemistry", Vol. 34, 301, Annual Reviews, Inc., Palo Alto, CA (1983)

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80. Strosberg, A.D., L. Camoin, N. Blin, & B. Maigret
    • Receptors Coupled to GTP-Binding Proteins, Ligand Binding and G-Protein Activation is a Multistep Dynamic Process
    • Drug Design and Discovery, 9, 199 (1993)

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81. Thornton, J.M. & S.P Gardner
    • Protein Motifs and Data-Base Searching
    • Trends in Biochemical Science, 14, 300 (1989)

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82. Timms, D., A.J. Wilkinson, D.R. Kelly, K.J. Broadley, & R.H. Davies
    • Interactions of Tyr377 in a Ligand-Activation Model of Signal Transmission through Beta 1-Adrenoceptor Alpha-Helices
    • International Journal of Quantum Chemistry: Quantum Biology Symposium, 19, 197 (1992)

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83. Tramontano, A. & A.M. Lesk
    • Common Features of the Conformations of Antigen-Binding Loops in Immunoglobulins and Application to Modeling Loop Conformations
    • PROTEINS: Structure, Function, and Genetics, 13, 231 (1992)

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84. Tung, Chang-Shung & S.C. Harvey
    • Base Sequence, Local Helix Structure, and Macroscopic Curvature of A-DNA and B-DNA
    • Journal of Biological Chemistry, 261, 3700 (1986)

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85. Tung, Chang-Shung & S.C. Harvey
    • Computer Graphics Program to Reveal the Dependence of the Gross Three-dimensional Structure of the B-DNA Double Helix on Primary Structure
    • Nucleic Acids Research, 14, 381 (1986)

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86. Tung, Chang-Shung & E.S. Carter II
    • Nucleic Acid Modeling Tool (NAMOT): An Interactive Graphic Tool for Modeling Nucleic Acid Structures
    • CABIOS, 10(4), 427-433 (1994)

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87. Van Rhee, M. & K.A. Jacobson
    • Molecular Architecture of G Protein-coupled Receptors
    • Drug Devel. Res., 37, 1 (1996)

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88. Vasquez, M. & H.A. Scheraga
    • Use of Buildup and Energy-Minimization Procedures to Compute Low-Energy Structures of the Backbone of Enkephalin
    • Biopolymers, 24, 1437 (1985)

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89. vd Lieth, C.W., R.E. Carter, D. Dolata, & T. Liljefors
    • RINGS - A General Program to Build Ring Systems
    • Journal of Molecular Graphics, 2(4), 117-123 (1984)

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90. Venable, R.M., B.R. Brooks, & F.W. Carson
    • Theoretical Studies of Relaxation of a Monomeric Subunit of HIV-1 Protease in Water Using Molecular Dynamics
    • PROTEINS: Structure, Function, and Genetics, 15, 374 (1993)

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91. Venable, R.M., Y. Zhang, B.J. Hardy, & R. Pastor
    • Molecular Dynamics Simulations of a Lipid Bilayer and of Hexadecane: An Investigation of Membrane Fluidity
    • Science, 262, 223 (1993)

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92. von Heijne, G.
    • Proline Kinks in Transmembrane Alpha-Helices
    • Journal of Molecular Biology, 218, 499 (1991)

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93. Waltho, J.P., J.G. Vinter, A. Davis, & D.H. Williams
    • Forces in Molecular Recognition: Comparison of Experimental Data and Molecular Mechanics Calculations
    • Journal of Computer-Aided Molecular Design, 2, 31 (1988)

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94. Weiner, P.K. & P.A. Kollman
    • AMBER: Assisted Model Building with Energy Refinement. A General Program for Modeling Molecules and Their Interactions
    • Journal of Computational Chemistry, 2, 287 (1981)

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95. Weiner, S.J., P.A. Kollman, D.A. Case, U. Chandra Singh, C. Ghio, G. Alagona, S. Profeta, Jr., and P. Weiner
    • A New Force Field for Molecular Mechanical Simulation of Nucleic Acids and Proteins
    • Journal of The American Chemical Society, 106, 765 (1984)

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96. Weiss, M.S., U. Abele, J. Weckesser, W. Welte, E. Schiltz, & G.E. Schulz
    • Molecular Architecture and Electrostatic Properties of a Bacterial Porin
    • Science, 254, 1627 (1991)

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97. Westkaemper, R.B. & R.A. Glennon
    • Approaches to Molecular Modeling Studies and Specific Application to Serotonin Ligands and Receptors
    • Pharmacology Biochemistry & Behavior, 40, 1019 (1991)

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98. Williams, K.A. & C.M. Deber
    • Proline Residues in Transmembrane Helices: Structural or Dynamic Role?
    • Biochemistry, 30, 8919 (1991)

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99. Withka, J.M., S. Swaminathan, J. Srinivasan, D.L. Beveridge, & P.H. Bolton
    • Toward a Dynamical Structure of DNA: Comparison of Theoretical and Experimental NOE Intensities.
    • Science, 255, 597 (1992)

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100. Yang, An-Suei, M.R. Gunner, R. Sampogna, K. Sharp, & B. Honig
     • On the Calculation of pKas in Proteins
     • PROTEINS: Structure, Function, and Genetics, 15, 252 (1993)

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