BIOPOLYMERS ORIGINAL RESEARCH ON BIOMOLECULES Volume 39 ¢« 1996 Editor : Murray Goodman Department of Chemistry & Biochemistry, The University of California, San Diego, La Jolla, California 92093 Editorial Board: Editorial Board David R. Kearns Advisory Board L. Moroder Norma M. Allewell Department of Chemistry E. D. T. Atkins F. Naider Department of Biochemistry University of California, San Diego R. L. Baldwin W. Olson University of Minnesota La Jolla, California 92093 E. Benedetti E. Peggion St. Paul, MN 55108 J. A. McCammon D. L. Beveridge B. M. Pettitt Kenneth J. Breslauer Department of Chemistry and V. Bloomfield M. T. Record, Jr. Department of Chemistry Biochemistry J. S. Cohen G. Rose Rutgers University University of California, San Diego D. M. Crothers S. Sakakibara Piscataway, New Jersey 08855 La Jolla, California 92093-0343 K. A. Dill J. Schellman George J. Thomas, Jr. D. Eisenberg H. A. Scheraga C. Allen Bush School of Biological Sciences E. L. Elson P. Schiller Department of Chemistry and University of Missouri-Kansas City G. Fasman J. D. Simon Biochemistry Kansas City, Missouri 64110 L. Gierasch A. Stone University of Maryland David E. Wemmer A. Hagler I. Tinoco Baltimore, Maryland 21228 Department of Chemistry W. C. Johnson G. Van Binst David A. Case University of California R. Kaptein K. Wiithrich Department of Molecular Biology, Berkeley, California 94720 I. Karle B. H. Zimm MB2 M. Karplus Research Institute of Scripps Clinic Founding Editors H. Kessler La Jolla, California 92037 Elkan Blout P. Kollman Charles M. Deber Harvard Medical School S. Krimm Biochemistry Department Boston, Massachusetts 02115 I. Kuntz, Jr. Ephraim (Katchalski) Hospital for Sick Children W. L. 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Personal rate (available only if there is an institu- The contents of this journal are indexed in the following: Applied Mechanics Reviews, tional subscription): $400.00 in US and Canada, $508.00 outside North America. All subscrip- Biological Abstracts, BIOSIS, Chemical Abstracts, Chemical Titles, Current Contents/Life tions outside US will be sent by air. Subscriptions at the personal rate are available only to indi- Sciences, Engineering Index, Excerpta Medica, Index Medicus, Reference Update, Research viduals. Payment must be made in US dollars drawn on a US bank. Claims for undelivered Alert (ISI), Science Citation Index (ISI), and SCISEARCH Database (ISI). This paper meets the requirements of ANSI/NISO Z39.48-1992 (Permanence of Paper). Biopolymers Author Index—Volume 39 Abdelkafi, M. See Bouchemal- Cylindrical Peptide Boelens, R. See van Geerestein- Chibani, N., 549 Structures Formed by Fusing Ujah, E. C., 691 Ablett, S. See Foster, T. J., 51 Left and Right Handed Bouchemal-Chibani, N. Akabori, S. See Tamaki, M., Helices (Rapid —,; Abdelkafi, M.; Hervé du 129 Communication), 279 Penhoat, C.; Ghomi, M.; Akinari, Y. See Kaibara, K., 189 Barry, S. I. Turpin, P. Y.: André, G. —; Gowman, L. M.; Ethier, Characterization of the —+; Buléon, A.; Vallée, F.; Juy, C. R.: Obtaining the Dynamic Behavior of M.; Haser, R.; Tran, V.: Concentration-Dependent r(ACC) and r(AAC) with Amylose Chain Behavior in Diffusion Coefficient from NMR Relaxation Data and an Interacting Context I. Ultrafiltration Experiments: Both Metropolis Monte Influence of a Nonchair Application to Hyaluronate, Carlo and Molecular Ring on the Maltose 1 Dynamics Simulations, 549 Conformations, 737 Berlose, J.-P. See Josien, H., Boué, F. See Renard, D., 149 Andreu, D. See Toiron, C., 537 133 Boyd, M. K. See Pavlik, P. A., Antosiewicz, J. Bernini, L. F. See Ragona, L., 615 —; Wlodek, S. T.; McCammon, 653 Breese, K. See Luidens, M. K., J. A.: Acetylcholinesterase: Berth, G. 367 Role of the Enzyme’s —,; Dautzenberg, H.; Christensen, Breslauer, K. J. See Chalikian, Charge Distribution in T. V., 619 B. E.; Rother, G.; Smidsr¢d, Steering Charged Ligands O.: Physicochemical Studies Bruix, M. See Toiron, C., 537 Toward the Active Site, 85 on Xylinan (Acetan). I. Brunissen, A. See Josien, H., Ariyoshi, Y. See Izawa, H., 95; Characterization by Gel 133 Ota, M., 199 Permeation Chromatography Buléon, A. See André, G., 737 Arteca, G. A. on Sepharose Cl-2B Burova, T. V. Characterization of Global Coupled with Static Light —+; Golubeva, I. A.; Grinberg, Molecular Shape Transitions Scattering and Viscometry, N. V.; Mashkevich, A. Y.; Between ‘‘Open’’ and 709 Grinberg, V. Y.; Usov, “*Closed’’ Protein —,; Dautzenberg, H.; Christensen, A. I.; Navarini, L.; Cesaro, Conformations, 671 B. E.; Smidsr¢d, O.: A.: Calorimetric Study of Arteca, G. A. Physicochemical Studies on the Order—Disorder Characterization of Global Conformational Transition in Xylinan (Acetan). II. Molecular Shape Transitions Characterization by Static Succinoglycan, 517 Between ‘‘Open’’ and Light Scattering, 721 “*Closed’’ Protein Berth, G. See Harding, S. E., Caram-Lelham, N. Conformations, 671 729 —,; Sundeléf, L.-O.: Changes in Axelos, M. A. V. See Cros, S., Beyermann, M. See Rothemund, the Polyelectrolyte- 339; Renard, D., 149 S., 207 Amphiphile Interaction Due Bienert, M. See Rothemund, S., to Helix-Coil Transition Balaram, P. See Banerjee, A.., 207 Induced by Specific 279; Karle, I. L., 75 Bodkin, M. J. Counterions or Variations in Banerjee, A. —; Goodfellow, J. M.: Temperature, 387 —+; Rao Raghothama, S.; Karle, Hydrophobic Solvation in Cesaro, A. See Burova, T. V., I. L.; Balaram, P.: Aqueous Trifluoroethanol 517 Ambidextrous Molecules: Solution, 43 Chalikian, T. V. Biopolymers, Vol. 39, 875-880 (1996) 876 AUTHOR INDEX —,; Breslauer, K. J.: On Volume Monoclonal Anti-Substance Sequences by Circular Changes Accompanying P Antibody, 67 Dichroism, Ultraviolet Conformational Transitions Dib, R. absorbance, and Optical of Biopolymers (Rapid —; Chobert, J. M.; Rotation, 859 Communication), 619 Dalgalarrondo, M.; Haertlé, Figge, J. See Luidens, M. K., Chalmers, G. W. G. See Lillie, T.: Secondary Structure 367 M. A., 627 Changes and Peptic Formaggio, F. See Monaco, V., Chassaing, G. See Déry, O., 67; Hydrolysis of B- 31 Josien, H., 133 Lactoglobulin Induced by Foster, T. J. Chobert, J. M. See Dib, R., 23 Diols, 23 —,; Ablett, S.; McCann, M.; Christensen, B. E. See Berth, Dill, K. A. See Wallace, D. G., Gidley, M. J.: Mobility- G., 709, 721; Harding, S. E., 115 Resolved '*C-NMR 729 Dua, R. K. See Mosberg, H. I., Spectroscopy of Primary Célfen, H. See Harding, S. E., 287 Plant Cell Walls, 51 729 Dumy, P. Fraden, S. See Tang, J., 13 Constantine, K. L. —,; Eggleston, L. M.; Esposito, Friedrichs, M. S. See —; Friedrichs, M. S.; Stouch, G.: Nicula, S.; Mutter, M.: Constantine, K. L., 591 T. R.: Extensive Molecular Solution Structure of Fukada, H. See Kitamura, S., Dynamics Simulations of a Regioselectively 407 6-Hairpin-Forming Peptide, Addressable Functionalized Fukuwatari, T. See Ota, M.., 591 Templates: An NMR and 199 Convert, O. See Josien, H., 133 Restrained Molecular Couraud, J. Y. See Déry, O., 67 Dynamics Investigation, 297 Garnier, C. See Cros, S., 339 Crisma, M. See Monaco, V., 31 Gavuzzo, E. See Torrini, I., 327 Cros, S. Eggleston, D. S. See Monaco, Ghomi, M. See Bouchemal- —,; Garnier, C.; Axelos, V., 31 Chibani, N., 549 M. A. V.; Imberty, A.; Eggleston, L. M. See Dumy, P., Gidley, M. J. See Foster, T. J., Pérez, S.: Solution 297 51 Conformations of Pectin Elcock, A. H. Golubeva, I. A. See Burova, Polysaccharides: —; Rodger, A.; Richards, W. G.: evi ET Determination of Chain Theoretical Studies of the Goodfellow, J. M. See Bodkin, Characteristics by Small Intercalation of 9- M. J., 43 Angle Neutron Scattering, Hydroxyellipticine in DNA, Goodman, M. See Feng, Y., 859 Viscometry, and Molecular 309 Gosline, J. M. See Lillie, M. A., Modeling, 339 Engelsen, S. B. 627, 641 Cros, S. See Engelsen, S. B., —; Cros, S.; Mackie, W.; Pérez, Goto, N. K. See Liu, L.-P., 465 417 S.: A Molecular Builder for Gowman, L. M. See Barry, S. Carbohydrates: Application I., 1 Dalgalarrondo, M. See Dib, R., to Polysaccharides and Grant, B. D. See Tsigelny, I., 23 Complex Carbohydrates, 417 353 Dallai, R. See Ragona, L., 653 Esposito, G. See Dumy, P., 297 Grassi, J. See Déry, O., 67 Dautzenberg, H. See Berth, G., Ethier, C. R. See Barry, S. I., 1 Grinberg, N. V. See Burova, 709, 721 Vee SIT Davenport, V. G. See Rothwarf, Fairchild, S. B. See Pachter, R.., Grinberg, V. Y. See Burova, D. M., 531 377 EV. SU Deber, C. M. See Liu, L.-P., Falch, B. H. See Kitamura, S., 465 407 Déry, O. Feng, Y. Haertlé, T. See Dib, R., 23 —-; Josien, H.; Grassi, J.; —; Melacini, G.; Taulane, J. P.; Harding, S. E. Chassaing, G.; Couraud, Goodman, M.: Collagen- —; Jumel, K.; Célfen, H.; Berth, J. Y.; Lavielle, S.: Use of Based Structures Containing G.; Christensen, B. E.; Conformationally the Peptoid Residue N- Hartmann, J.: Constrained Peptides for a Isobutylglycine (Nleu): Physicochemical Studies on Topographical Analysis of Synthesis and Biophysical Xylinan (Acetan). Part III. the Combining Site of a Studies of Gly-Pro-Nleu Hydrodynamic AUTHOR INDEX 877 Characterization by Elastin Model Polypeptide, —+; Chalmers, G. W. G.; Gosline, Analytical (Val-Pro-Gly-Val-Gly),, 189 J. M.: Elastin Dehydration Ultracentrifugation and Kaptein, R. See van Geerestein- through the Liquid and the Dynamic Light Scattering, Ujah, E. C., 691 Vapor Phase: A Comparison 729 Karle, I. L. of Osmotic Stress Models, Hartmann, J. See Harding, —,; Rao, R. B.; Kaul, R.; Prasad, 627 S. E., 729 S.; Balaram, P.: Peptide —+; Gosline, J. M.: Swelling and Harvey, S. C. See Sprous, D., Design: Crystal Structure of Viscoelastic Properties of 243; Tan, R. K.-Z., 259 a Helical Peptide Module Osmotically Stressed Haser, R. See André, G., 737 Attached to a Potentially Elastin, 641 Hayashi, Y. See Miura, N., 183 Nonhelical Amino Terminal Linthicum, D. S. See Hermans, J. See Wang, L., 479 Segment, 75 Viswanathan, M., 395 Hervé du Penhoat, C. See Karle, I. L. See Banerjee, A., Li, S.-C. See Liu, L.-P., 465 Bouchemal-Chibani, N., 549 279 Liu, K. Hirano, T. See Kitamura, S., Kaul, R. See Karle, I. L., 75 —-; Sasisekharan, V.; Miles, 407 Kerr, I. D. H. T.; Raghunathan, G.: Huber, T. —; Son, H. S.; Structure of Py~- Pu- Py —+; Torda, A. E.; van Gunsteren, Sankararamakrishnan, R.; DNA Triple Helices. Fourier W. F.: Optimization Sansom, M. S. P.: Molecular Transforms of Fiber-Type Methods for Conformational Dynamics Simulations of X-ray Diffraction of Single Sampling Using a Isolated Transmembrane Crystals, 573 Boltzmann-Weighted Mean Helices of Potassium Liu, L.-P. Field Approach, 103 Channels, 503 —-; Li, S.-C.; Goto, N. K.; Deber, Kitamura, S. C. M.: Threshold —,; Hirano, T.; Takeo, K.; Hydrophobicity Dictates Imberty, A. See Cros, S., 339 Fukada, H.; Takahashi, K.; Helical Conformations of Izawa, H. Falch, B. H.; Stokke, B. T.: Peptides in Membrane —; Ota, M.; Kohmura, M.; Conformational Transitions Environments, 465 Ariyoshi, Y.: Synthesis and of Schizophyllan in Aqueous Lomize, A. L. See Mosberg, Characterization of the Alkaline Solution, 407 H. I., 287 Sweet Protein Brazzein, 95 Kodama, H. See Kaibara, K.., Longhi, R. See Ragona, L., 653 189 Lopez, J. A. See Toiron, C., 537 Josien, H. Kohmura, M. See Izawa, H., 95 Lozzi, L. See Ragona, L., 653 —+; Convert, O.; Berlose, J.-P.; Kolbe, A. See Plass, M., 681 Lucente, G. See Torrini, I., 327 Sagan, S.; Brunissen, A.; Kondo, M. See Kaibara, K., 189 Luidens, M. K. Lavielle, S.; Chassaing, G.: Krause, E. See Rothemund, S., —-; Figge, J.; Breese, K.; Vajda, Topographic Analysis of the 207 S.: Predicted and S; Binding Subsite of the Kuczera, K. Trifluoroethanol-Induced a- Tachykinin Neurokinin-| Free Energy Simulations of Axial Helicity of Polypeptides, Receptor, 133 Contacts in Sickle-Cell 367 Josien, H. See Déry, O., 67 Hemoglobin, 221 Lupo, J. A. See Pachter, R., 377 Jumel, K. See Harding, S. E., Kuroda, K. See Sawai, H., 173 729 Mackie, W. See Engelsen, S. B., Juy, M. See André, G., 737 Lamy, A. V. 417 —+; Souaille, M.; Smith, J. C.: Marchini, D. See Ragona, L., Kaibara, K. Simulation Evidence for 653 —; Akinari, Y.; Okamoto, K.; Experimentally Detectable Mariani, M. See van Geerestein- Uemura, Y.; Yamamoto, S.; Low-Temperature Ujah, E. C., 691 Kodama, H.; Kondo, M.: Vibrational Inhomogeneity Mashimo, S. See Miura, N., 183 Characteristic Interaction of in a Globular Protein, 471 Mashkevich, A. Y. See Burova, Ca** Ions with Elastin Lavielle, S. See Déry, O., 67; FV... SEF Coacervate: Ion Transport Josien, H., 133 Mastropietro, G. See Torrini, L., Study Across Coacervate Lefebvre, J. See Renard, D., 149 327 Layers of a-Elastin and Lillie, M. A. Mazza, F. See Torrini, I., 327 878 AUTHOR INDEX McCammon, J. A. See O’Connell, T. See Wang, L., Ragona, L. Antosiewicz, J., 85 479 —; Molinari, H.; Zetta, L.; McCann, M. See Foster, T. J., Okamoto, K. See Kaibara, K.., Longhi, R.; Marchini, D.; 51 189 Dallai, R.; Bernini, L. F.; Melacini, G. See Feng, Y., 859 Olsen, K. W. See Pavlik, P. A., Lozzi, L.; Scarselli, M.; Melero, J. A. See Toiron, C., 615 Niccolai, N.: CD and NMR 537 Ota, M. Structural Characterization Miles, H. T. See Liu, K., 573 —; Tonosaki, K.; Miwa, K.; of Ceratotoxins, Natural Miura, N. Fukuwatari, T.; Ariyoshi, Peptides with Antimicrobial —+; Hayashi, Y.; Mashimo, S.: Y.: Synthesis and Activity, 653 Hinge-Bending Deformation Characterization of the Rao Raghothama, S. See of Enzyme Observed by Sweetness-Suppressing Banerjee, A., 279 Microwave Dielectric Polypeptide Gurmarin and Rao, R. B. See Karle, I. L., 75 Measurement, 183 ent-Gurmarin, 199 Reese, H. R. See Schellman, Miwa, K. See Ota, M., 199 Ota, M. See Izawa, H., 95 J. A., 161 Molinari, H. See Ragona, L., Ozaki, H. See Sawai, H., 173 Renard, D. 653 —; Axelos, M. A. V.; Boué, F.; Monaco, V. Pachter, R. Lefebvre, J.: ‘“Ordered’’ —,; Formaggio, F.; Crisma, M.; —-; Fairchild, S. B.; Lupo, J. A.; Structure in Solutions and Toniolo, C.; Shui, X.; Wade, W.: Biomolecular Gels of a Globular Protein Eggleston, D. S.: Structure Prediction at a as Studied by Small Angle Crystallographic Structure of Low Resolution Using a Neutron Scattering, 149 a Multiple 6-Turn Neural Network and the Richards, W. G. See Elcock, Containing, Glycine-Rich Double-Iterated Kalman A. H., 309 Heptapeptide: A Synthetic Filter Technique, 377 Rivas, G. See Toiron, C., 537 Precursor of the Paradisi, M. P. See Torrini, I., Rodger, A. See Elcock, A. H., Lipopeptaibol Antibiotic 327 309 Trichodecenin I, 31 Pavlik, P. A. Rothemund, S. Mosberg, H. I. —+; Boyd, M. K.; Olsen, K. W.: —,; Krause, E.; Beyermann, M.; —; Dua, R. K.; Pogozheva, I. D.; Molecular Dynamics of a Bienert, M.; Sykes, B. D.; Lomize, A. L.: Development Hemoglobin Crosslinking Sonnichsen, F. D.: of a Model for the 6-Opioid Reaction (Research Assignment of the Helical Receptor Pharmacophore. 4. Communication), 615 Structure in Neuropeptide Y Residue 3 Peng, J.-L. See Rothwarf, by HPLC Studies of Dehydrophenylalanine D. M., 531 Methionine-Replacement Analogues of Tyr-c[D-Cys- Pérez, S. See Cros, S., 339; Analogues and 'H-NMR Phe-b-PenJOH (JOM-13) Engelsen, S. B., 417 Spectroscopy, 207 Confirm Required gauche Plass, M. Rother, G. See Berth, G., 709 Orientation of Aromatic —; Kolbe, A.: Influence of Rothwarf, D. M. Side Chain, 287 Chirality, Amino Acid —+; Davenport, V. G.; Shi, P.-T.; Muramatsu, I. See Tamaki, M., Sequence, and Protecting Peng, J.-L.; Scheraga, H. A.: 129 Groups on the Use of Sequence Specific Mutter, M. See Dumy, P., 297 Intramolecular Interaction Tri-Block Copolymers to Behavior of Dipeptide and Determine the Helix- Tripeptide Derivatives, 681 Forming Tendencies of Nakatani, H. Pledger, D. W. See Amino Acids, 531 Monte Carlo Simulation of Viswanathan, M., 395 Multiple Attack Mechanism Pochetti, G. See Torrini, I., 327 Sagan, S. See Josien, H., 133 of a-Amylase, 665 Pogozheva, I. D. See Mosberg, Sankararamakrishnan, R. See Navarini, L. See Burova, T. V., H. I., 287 Kerr, I. D., 503 517 Prasad, S. See Karle, I. L., 75 Sansom, M. S. P. See Kerr, Niccolai, N. See Ragona, L., 653 I. D., 503 Nicula, S. See Dumy, P., 297 Raghunathan, G. See Liu, K., Sasisekharan, V. See Liu, K.., 573 573 AUTHOR INDEX = 879 Sawai, H. Sundelof, L.-O. See Caram- E.; Mazza, F.; Pochetti, G.; —; Kuroda, K.; Seki, J.; Ozaki, Lelham, N., 387 Traniello, S.; Spisani, S.: H.: Conformational and Sykes, B. D. See Rothemund, S., Modified Chemotactic Stacking Properties of 3’-5’ 207 Peptides: Synthesis, and 2’-5’ Linked Conformation, and Activity Oligoribonucleotides Studied of HCO-Thp-Ac,c-Phe- by CD, 173 Takahashi, K. See Kitamura, S., OMe, 327 Scarselli, M. See Ragona, L., 407 Traniello, S. See Torrini, I., 327 653 Takeo, K. See Kitamura, S., 407 Tran, V. See André, G., 737 Schellman, J. A. Tamaki, M. Tropsha, A. See Wang, L., 479 —-; Reese, H. R.: Extensions to —; Akabori, S.; Muramatsu, L.: Tsigelny, I. the Theory of Intercalation, Conformation of a Cyclic —+; Grant, B. D.; Taylor, S. S.; 161 Tetrapeptide Containing Ten Eyck, L. F.: Catalytic Scheraga, H. A. See Rothwarf, Two Proline Residues, 129 Subunit of cAMP-Dependent D. M., 531 Tang, J. Protein Kinase: Electrostatic Seki, J. See Sawai, H., 173 —,; Fraden, S.: Nonmonotonic Features and Peptide Shiau, L.-D. Temperature Dependence of Recognition, 353 A Systematic Analysis of the Flexibility of Turpin, P. Y. See Bouchemal- Average Molecular Weights Bacteriophage fd, 13 Chibani, N., 549 and Gelation Conditions for Tan, R. K.-Z. Branched Immune —-,; Sprous, D.; Harvey, S. C.: Uemura, Y. See Kaibara, K.., Complexes: The Interaction Molecular Dynamics 189 between a Multivalent Simulations of Small DNA Usov, A. I. See Burova, T. V., Antigen with Distinct Plasmids: Effects of 517 Epitopes and Many Sequence and Supercoiling Different Types of Bivalent on Intramolecular Motions, Vajda, S. See Luidens, M. K., Antibodies, 445 259 367 Shi, P.-T. See Rothwarf, D. M., Tan, R. K.-Z. See Sprous, D., Vakser, I. A. 531 243 Low-Resolution Docking: Shui, X. See Monaco, V., 31 Taulane, J. P. See Feng, Y., 859 Prediction of Complexes for Smidsr¢d, O. See Berth, G., Taylor, S. S. See Tsigelny, L., Underdetermined Structures, 709, 721 353 455 Smith, J. C. See Lamy, A. V., Ten Eyck, L. F. See Tsigelny, Vallée, F. See André, G., 737 471 I., 353 van Geerestein-Ujah, E. C. Son, H. S. See Kerr, I. D., 503 Tetin, S. Y. See Viswanathan, —; Mariani, M.; Vis, H.; Sonnichsen, F. D. See M., 395 Boelens, R.; Kaptein, R.: Rothemund, S., 207 Toiron, C. Use of Graph Theory for Souaille, M. See Lamy, A. V., —; Lopez, J. A.; Rivas, G.; Secondary Structure 471 Andreu, D.; Melero, J. A.; Recognition and Sequential Spisani, S. See Torrini, I., 327 Bruix, M.: Conformational Assignment in Heteronuclear Sprous, D. Studies of a Short Linear (°C, '°N) NMR Spectra: —,; Tan, R. K.-Z.; Harvey, S. C.: Peptide Corresponding to a Application to HU Protein Molecular Modeling of Major Conserved from Bacillus Closed Circular DNA Neutralizing Epitope of stearothermophilus, 691 Thermodynamic Ensembles, Human Respiratory van Gunsteren, W. F. See 243 Syncytial Virus Fusion Huber, T., 103 Sprous, D. See Tan, R. K.-Z., Glycoprotein, 537 Vis, H. See van Geerestein-Ujah, 259 Toniolo, C. See Monaco, V., 31 E. C., 691 Stokke, B. T. See Kitamura, S., Tonosaki, K. See Ota, M., 199 Viswanathan, M. 407 Torda, A. E. See Huber, T., 103 —+; Subramaniam, S.; Pledger, Stouch, T. R. See Constantine, Torrini, I. D. W.; Tetin, S. Y.; K. L., 591 —-; Zecchini, G. P.; Paradisi, Linthicum, D. S.: Modeling Subramaniam, S. See M. P.; Lucente, G.; the Structure of the Viswanathan, M., 395 Mastropietro, G.; Gavuzzo, Combining Site of an 880 AUTHOR INDEX Antisweet Taste Ligand Wang, L. Binding Characteristics and Monoclonal Antibody —+; O’Connell, T.; Tropsha, A.; Solution Conformation, 491 NC10.14, 395 Hermans, J.: Energetic Wlodek, S. T. See Antosiewicz, Decomposition of the a- J., 85 Wade, W. See Pachter, R., 377 Wallace, D. G. Helix—Coil Equilibrium of a Yamamoto, S. See Kaibara, K.., —-; Dill, K. A.: Treating Dynamic Model System, 479 189 Sequence Dependence of Wellman, S. E. Zecchini, G. P. See Torrini, I., Protein Stability in a Mean- Carboxyl-Terminal Peptides from 327 Field Model, 115 Histone H1 Variants: DNA Zetta, L. See Ragona, L., 653 Biopolymers Subject Index to Volume 39 Aggregation, 149 Catalytic mechanism, 353 Cyclic peptide, 129 Alanine polypeptides, 479 CD spectra, 491 Cyclic peptides, as Alpha-helix, 43 Cellulose structure, in cell walls, regioselectively addressable Amino acid sequence, 115 51 functionalized templates a-Aminoisobutyryl peptide, 75 Ceratotoxins, 653 (RAFT), 297 6-Aminovaleric acid, 769 Ceratotoxins, and NMR studies, Cyclic peptides, CD studies of, Amitriptyline, adsorption to k- 653 297 carrageenan, desorption from Ceratotoxins, by circular Cyclic peptides, Restrained k-carrageenan, 387 dichroism, 653 Molecular Dynamics of, 297 Amphiphile-«-carrageenan Ceratotoxins, structure Cyclic peptides, solution interaction, 387 determination, 653 structure of by NMR, 297 a-Amylase, 665 Chemotaxis, 327 C*-tetrasubstituted amino acids, Amylopectin, 665 Circular dichroism, 173, 367, 327 Amylose, 665 465, 531, 549 Amylose propagation, 737 Coacervation, 189 De Novo design, 43 Analytical ultracentrifugation, Coefficient, 729 Dehydroamino acid, 287 729 Combining site structure, 395 Dehydrophenylalanine, 287 Antigen-antibody complex, 445 Compact configurations, 115 Diastereoisomers, 681 Antimicrobial peptides, 653 Complex carbohydrates, 417 Dielectric relaxation peak, 183 Average molecular weight, 445 Computer simulations, 221 Differential scanning calorimetry, Concentration-dependent mutual 517 Bacillus stearothermophilus, 691 diffusion coefficient, 1 Diffusion, 85 Base-base stacking, 173 Conformation, 173, 327 Diols, 23 Base-sugar stacking, 173 Conformational analysis of Dipropylglycine peptide, 75 Binding isotherm, 161 maltose, 737 DNA plasmids, 259 Biomechanics, 627 Conformational search, 103 DNA supercoiling, 243 Birefringence, magnetic-field Conformational transition, 517 DNA triple helices, 573 induced, 13 Conformational transitions, 619 DNA-binding proteins, 491 Birefringence, of fd solutions, 13 Conformational transitions of Double iterated Kalman filter, Block copolymer synthesis, 531 schizophyllan in aqueous 377 Blood substitutes, 615 alkaline solution, 407 DSC study of schizophyllan in Boltzmann distribution, 103 Conformationally and aqueous alkaline solution, Branched complex, 445 configurationally restricted 407 Brazzein, synthesis of, 95 rotameric probes of Dynamic light scattering, 729 Brownian dynamics, 85 phenylalanine, 133 Dynamic Zimm plot, 729 Conformations, 31 '5C-NMR, 51 Constrained peptides, 67 Elastin, 189, 627, 641 Ca’* binding, 189 Cotton—Mouton effect, of fd Elastin model peptide, 189 Capillary viscometry, 709 virus suspensions, 13 Eiectron microscopic observation Carbohydrate structure, 417 Crambin, 377 of renatured schizophyllan, Carbon and proton longitudinal Cross polarization and magic 407 relaxation rates, 549 angle spinning, 51 Electrostatic interaction, 161 «-Carrageenan, charge density, Crosslinking, 615 Electrostatic interactions, 221 length per unit charge, helix- Cross-relaxation rates, 549 Electrostatics, 85, 353 coil transition, 387 Crystal structure, 279, 327 Energy calculations, 133 Biopolymers, Vol. 39, 881—883 (1996) 882 SUBJECT INDEX Enthalpy, 221 virus fusion (F) Mobility-resolved NMR Entropy, 221 glycoprotein, 537 spectroscopy, 51 Enzyme, 183 Hyaluronate, | Modeling, 445 Enzyme mechanism, 665 Hydrogen bonds, 479 Molecular aggregation, 221 Ethidium, 161 Hydrophobic effect, 479 Molecular association, 221 Extended conformation, 729 Hydrophobic solvation, 43 Molecular associations, in cell Hydrophobicity, 465 walls, 51 Molecular dynamics, 43, 103, Far-infrared spectroscopy, 471 Induced fit, 671 243, 259, 503, 549, 615 fd virus, liquid crystal phases of, Inelastic neutron scattering, 471 Molecular dynamics (MD) 13 Intercalation, 161 simulations, 309 fd virus, temperature dependence of flexibility of, 13 Intercalative binding, of 9- Molecular dynamics simulation, hydroxyellipticine to DNA, 471, 591 Fiber-type x-ray diffraction, 573 309 Molecular dynamics simulations, Flexible forms of glucopyranose, Internal strain energy, 221 221 737 Intramolecular hydrogen bonds, Molecular mechanics, 259, 417, Folding changes, 23 681 549, 737 Formylpeptides, 327 Intramolecular motions, 259 Molecular modeling, 339 Fourier transforms, 573 Intramolecular transition of triple Molecular organization, in cell Fractal, 149 helix of schizophyllan, 407 walls, 51 Free energy, 221 Intrinsic viscosity, 729 Molecular recognition algorithm, Free energy convergence, 221 Inward rectifier, 503 455 Free energy decompositions, 221 Ion channel, 503 Molecular simulation, 43 Free energy simulations, 221, Molecular swivel, 503 479 Kinked helix, 503 Monoclonal antibody fragment, KXALLP helix stabilizer motif, 395 Gas permeation chromatography 653 Monoclonal anti-substance P (GPC), 709 antibody, 67 Gel formation, 445 B-Lactoglobulin, 23, 149 Monte Carlo, 665 Gel permeation chromatography, Lattice models, 115 Multiangle laser light scattering, 729 Ligands, conformationally 709 Gelation, 149 constrained, 287 Multiple attack, 665 Globular protein, 149 Ligand-receptor interaction, 455 Glycine, 503 Light scattering data, 721 Neighbor exclusion, 161 Graph theory, 691 2'-5’ Linkage, 173 Neural network, 377 Gurmarin, synthesis of, 199 3’-5’ Linkage, 173 Neuropeptide Y, 207 Linkage isomers, 173 Neutron scattering, 149 'H and '*C NMR spectra, 549 Liquid crystal, phases of fd NMR analysis in methanol, 133 'H-NMR spectroscopy, 207 virus, 13 Nonbonded interactions, 221 H1 histones, 491 Local enhanced sampling, 103 Normal mode analysis, 471 Hairpin-forming peptide, 591 Lock-and-key concepts, 455 Nuclear Overhauser effect Helical conformation, 75 spectroscopy (NOESY)-type Helix propensity, 531 Magnetic field induced spectra, 691 Helix reversal, 279 birefringence, of fd virus Nucleic acids, 549 Helix-coil transition, effect of suspensions, 13 counterions, effect of Maltooligosaccharides, 665 Oligopeptides, 681 temperature, 387 Membrane-mimetics, 465 Oligoribonucleotides, 173, 549 Hemoglobin, 221, 615 Metastable conformational states, Onsager theory, of isotropic— Heptapeptide, 31 591 nematic transition, 13 High performance liquid Methionine-replacement Open and closed conformations, chromatography (HPLC), analogues, 207 671 207 Metropolis Monte-Carlo Opioid receptor, delta, 287 Hinge-Bending deformation, 183 simulation, 549 Opioids, delta, pharmacophore Human respiratory syncytial Mixed chirality, 279 model, 287