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7 Major Histocompatibility Complex Class I Protein-Peptide Interactions 213[42] Cerundolo, V., Tse, A. G. D., Salter, R. D., Parham, P., Townsend, A,, Proc. R. SOC.London, 244, 169- 177.[43] Gilliland, B. C., Harrison’s principles of internal medicine (11th edn.), McGraw Hill,1987, pp. 1434- 1436.1441 Benjamin, R., Parham, P., Immunology Today 1990, 11, 137- 142.[45] Jardetzky, T. S., Lane, W. S., Robinson, R. A., Madden, D. R., Wiley, D. C., Nature1991, 353, 326-329.[46] Sutton, J., Rowland-Jones, S., Rosenberg, W., Nixon, D., Gotch, F., Gao, M., Murray,N., Spoonas, N., Driscoll, P., Smith, M., Willis, A., McMichael, A. J., EUK J. Immunol.1993, 23, 447-453.[47] Huet, S. H., Nixon, D. F., Rothbard, J. B., Townsend, A., Ellis, S. A., McMichael, A. J.,International Immunology 1990, 4, 311 -316.[48] Murray, R. J., Kurilla, M. G., Brooks, J. M., Thomas, W. A., Rowe, M., Kieff, E.,Rickenson, A. B., J. Exp. Med. 1992, 176, 157-168.[49] Brooks, J. M., Murray, R. J., Thomas, W. A., Kurilla, M. G., Rickenson, A. B., J. Exp.Med. 1993, in press.
Computer Modelling in Molecular BiologyEdited by Julia M. GoodfellowOVCH Verlagsgesellschaft mbH, 19958 Path Energy Minimization :A New Method for the Simulationof Conformational Transitionsof Large MoleculesOliver S. SmartDepartment of Crystallography, Birkbeck College, University of London,Malet Street, London WClE 7HX, EnglandContents8.18.1.18.28.38.48.4.18.4.28.58.6Introduction ...................................................... 216Simulation Methods for Conformational Transitions ................... 216Theory ........................................................... 220Method .......................................................... 225Applications ...................................................... 226A Pucker Angle Change in a-D-Xylulofuranose.. ...................... 226Conformation Change of the Substrate in the Active Site ofD-Xylose Isomerase ................................................ 230Conclusions: Potential Developments. ................................ 237Summary ......................................................... 238References ........................................................ 239
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Computer Modellingin Molecular Biol
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Professor Julia M. GoodfellowDepart
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ContentsColour Illustrations ......
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XContributorsBenoit RouxGroupe de R
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Colour IllustrationsXI11Figure 4-4.
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XVIColour IllustrationsFigure 7-18.
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2 Julia M. Goodfellow and Mark A. W
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Computer Modelling in Molecular Bio
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2 Modellinn Protein Structures 11su
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2.3.3 Available Modelling Programs2
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4 Molecular Dynamics and Free Energ
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4 Molecular Dvnamics and Free Enera
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5 Modelling Nucleic Acids 105and it
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5 Modelling Nucleic Acids 119Figure
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5 Modelling Nucleic Acids 129simula
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134 Benoft Roux6.1 IntroductionThe
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136 Benoit Roux[18-201. The gramici
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138 Benoft Rouxwhere D (x) is the l
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140 Benoft Roux“one-ion” conduc
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142 Benoft RouxTable 6-1. Interacti
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144 Benoit RouxFigure 6-2. Solvated
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146 Benoit Rouxwater box equilibrat
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148 Benoit Roux-I I I I II I I I II
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150 Benoi’t Rouxbulk waters. A st
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152 Benoit RouxOne advantage of thi
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154 Benoft Roux-.3.-15-c 10 -h5 5 -
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156 Benoft Rouxwhere x and v are th
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158 Benoit RouxReactant to ProductO
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160 Benoit Rouxremain in close cont
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Page 224 and 225: 216 Oliver S. Smart8.1 Introduction
Page 226 and 227: 218 Oliver S. Smartvolving large mo
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Page 234 and 235: 226 Oliver S. Smart8.4 Applications
Page 236 and 237: 228 Oliver S. Smartrigid-body penal
Page 238 and 239: 230 Oliver S. Smart216 252 200 324
Page 240 and 241: 232 Oliver S. SmartrbFigure 8-5. A
Page 242 and 243: 234 Oliver S. Smartlink the eoc and
Page 244 and 245: 236 Oliver S. Smarttermediates mark
Page 246 and 247: 238 Oliver S. Smartmoving conformat
Page 248 and 249: 240 Oliver S. Smart[39] Halgren, T.
Page 250 and 251: 242 IndexGGramicidin A 134- NMR dat
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