Molecular electrostatic potentials and fields: Hydrogen bonding, recognition, reactivity and modelling

Theoretical and Computational Chemistry

Volumn 3, Issue C, 1996, Pages 257-296

  Mishra, P C ^a   Kumar, Anil ^a  

^a BANARAS HINDU UNIVERSITY   (India)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 84962339164     PISSN: 13807323     EISSN: None     Source Type: Book Series    
DOI: 10.1016/S1380-7323(96)80046-X     Document Type: Chapter

References (306)

1. Jerusalem Symposia. Bonaccorsi R., Petrongalo C., Scrocco E., and Tomasi J. Quantum Aspects of Heterocyclic Compounds in Chemistry and Biochemistry Vol.II (1970) 181
2. Berl. Bonaccorsi R., Pullman A., Scrocco E., and Tomasi J. Theort. Chim. Acta 22 (1972) 51
3. Scrocco E., and Tomasi J. Topics Curr. Chem. 42 (1973) 95
4. Scrocco E., and Tomasi J. Adv. Quant. Chem. 11 (1978) 115
5. Politzer P., and Daiker K.C. In: Deb B.M. (Ed). The Force Concept in Chemistry (1981), Van Nostrand Reinhold, New York 294
6. In: Politzer P., and Truhlar D.G. (Eds). Chemical Applications of Atomic and Molecular Electrostatic Potentials (1981), Plenum Press, New York
7. Politzer P., Laurence P.R., and Jayasuriya K. Environ. Health Perspect. 61 (1985) 191
8. Politzer P., and Murray J.S. In: Beveridge D.L., and Lavery R. (Eds). Theoretical Biochemistry and Molecular Biophysics (1990), Adenine Press, New York 165
9. Seminario J.M., Concha M.C., Murray J.S., and Politzer P. Chem. Phys. Lett. 222 (1994) 25
10. Jemmis E.D., Subramanian G., Srivastava I.H., and Gadre S.R. J. Phys. Chem. 98 (1994) 6445
11. Náray-Szabó G. J. Mol. Graphics 7 (1989) 76
12. Tasi G., and Páilinkó I. In: Sen K.D. (Ed). Molecular Similarity II (Topics in Curr. Chem. Vol. 174 (1995), Springer-Verlag, Berlin 45
13. Campanario J.M., Bronchalo E., and Hidalgo M.A. J. Chem. Edu. 71 (1994) 761
14. Mishra P.C., and Kumar A. In: Sen K.D. (Ed). Molecular Similarity II Topics in Curr. Chem. Vol. 174 (1995), Springer-Verlag, Berlin 27
15. Dughan L., Burt C., and Richards W.G. J. Mol. Struct. (Theochem) 253 (1991) 481
16. Náray-Szabó G. Int. J. Quant. Chem., (Quant. Biol. Symp.) 16 (1989) 87
17. Ranghino G., and Clementi E. Gazz. Chim.Ital. 108 (1978) 157
18. Fruhbeis H., Klein R., and Wallmeier H. Agnew. Chem. 26 (1987) 403 Int. Ed. Engl.
19. Hall G., and Smith C.M. J. Mol. Struct. (Theochem) 179 (1988) 293
20. Allen L.C. J. Am. Chem. Soc. 97 (1975) 6921
21. Topial S., Morgan Jr. T.K., Sabio M., and Lumma Jr. W.C. J. Am. Chem. Soc. 112 (1990) 1452
22. Scheiner S. In: Maksć Z.B. (Ed). Theoretical Models of Chemical Binding Pt. 4 (1991), Springer-Verlag, Berlin 171
23. Kenny P.W. J. Chem. Soc. Perkin Trans. 2 (1994) 199
24. Náray-Szabó G., and Ferenczy G.G. Chem.Rev. 95 (1995) 829
25. Politzer P., Murray J.S., Seminario J.M., and Miller R.S. J. Mol. Struct. (Theochem) 262 (1992) 155
26. Brinck T., Murray J.S., and Politzer P. Int. J. Quant. Chem. (Quant. Biol. Symp. 19 (1992) 57
27. Murray J.S., Sukumar N., Ranganathan S., and Politzer P. Int. J. Quant. Chem. 38 (1990) 611
28. Murray J.S., Brinck T., Grice M.E., and Politzer P. J. Mol. Struct. (Theochem) 256 (1992) 29
29. Murray J.S., Paulsen K., and Politzer P. Proc. Indian Acad. Sci. (Chem. Sci.) 106 (1994) 267
30. Murray J.S., Brinck T., Lane P., Paulsen K., and Politzer P. J. Mol. Struct. (Theochem) 307 (1994) 55
31. Murray J.S., Brinck T., and Politzer P. Int. J. Quant. Chem. 18 (1991) 91
32. Gadre S.R., Kölmel C., and Shrivastava I.H. Inorg. Chem. 31 (1992) 2279
33. Gadre S.R., and Shrivastava I.H. Chem. Phys. Lett. 204 (1993) 350
34. Sen K.D., and Politzer P. J. Chem. Phys. 90 (1989) 4370
35. Kitaura K., and Morokuma K. Int. J. Quant. Chem. 10 (1976) 325
36. Part 4. Tomasi J., Bonaccorsi R., and Cammi R. In: Maksić Z.B. (Ed). Theoretical Models of Chemical Bonding (1991), Springer- Verlag, Berlin 229
37. Lin K.-J., Cheng M.-C., and Wang Y. J. Phys. Chem. 98 (1994) 11685
38. Westbrook J.D., Levy R.M., and Krogh-Jespersen K. J. Comput. Chem. 13 (1992) 979
39. Johnson B.G., Gill P.M.W., and Pople J.A. Chem. Phys. Lett. 206 (1993) 239
40. Gadre S.R., Bapat S.V., Sundararajan K., and Shrivastava I.H. Chem. Phys. Lett. 175 (1990) 307
41. Gadre S.R., Bapat S., and Shrivastava I. Comput. Chem. 15 (1991) 203
42. Shirsat R.N., Bapat S.V., and Gadre S.R. Chem. Phys. Lett. 200 (1992) 373
43. Giessner-Prettre C., and Pullman A. Theoret. Chim. Acta (Berl.) 25 (1972) 83
44. Giessner-Prettre C., and Pullman A. Theoret. Chim. Acta (Berl.) 37 (1975) 335
45. Dehareng D., Dive G., and Ghuysen J.M. Int. J. Quant. Chem. 46 (1993) 71l
46. Dewar M.J.S., and Thiel W. J. Am.Chem. Soc. 99 (1977) 4899
47. Dewar M.J.S., Zoebisch E.G., Healy E.F., and Stewart J.J.P. J. Am. Chem. Soc. 107 (1985) 3902
48. Stewart J.J.P. J. Comput. Chem. 10 (1989) 209
49. Ferenczy G.G., Reynolds C.A., and Richards W.G. J. Comput. Chem. 11 (1990) 159
50. Reynolds C.A., Ferenczy G.G., and Richards W.G. J. Mo1. Struct. (Theochem) 256 (1992) 249
51. Luque F.J., Illas F., and Orozco M. J. Comput. Chem. 11 (1990) 416
52. Ford G.P., and Wang B. J. Comput. Chem. 15 (1994) 200
53. Alkorta I., Villar H.O., and Arteca G.A. J. Comput. Chem. 14 (1993) 530
54. Alemán C., Luque F.J., and Orozco M. J. Comput. Chem. 14 (1993) 799
55. Bonati L., Cosentino U., Fraschini E., Moro G., and Pitea D. J. Comput. Chem. 13 (1992) 842
56. Náiray-Szabó G. Int. J. Quant. Chem. 16 (1979) 265
57. Náray-Szabó G. Int. J. Quant. Chem. 22 (1982) 575
58. Ferenczy G.G., Angyán J.G., Koritsfinszky T., Nagy J., and Náray-Szabó G. J. Mol. Struct. (Theochem) 256 (1992) 113
59. Sokalski W.A., and Sawaryn A. J. Mol. Struct. (Theochem) 256 (1992) 91
60. Stone A.J., and Alderton M. Mol. Phys. 56 (1985) 1047
61. Larson E.G., Li M., and Larson G.C. Int. J.Quant. Chem. 26 (1992) 181
62. Murray J.S., Grice M.E., Politzer P., and Rabinowitz J.R. J. Comput. Chem. 11 (1990) 112
63. Berronds M., and Larson E.G. Int. J. Quant. Chem. (Quant. Biol. Symp.) 16 (1989) 343
64. Kireev D.B., Fetisov V.I., and Zefirov N.S. J. Mol. Struct. (Theochem) 304 (1994) 143
65. Köster A.M., Kölle C., and Jug K. J. Chem. Phys. 99 (1993) 1224
66. M. Krack, A.M. Köster and K. Jug, J. Comput. Chem. (To be published).
67. Kikuchi O., Horikoshi K., and Takahashi O. J. Mol. Struct. (Theochem) 256 (1992) 47
68. Kikuchi O., Nakajima H., Horikoshi K., and Takahashi O. J. Mol. Struct. (Theochem) 285 (1993) 57.
69. Les A., and Adamowicz L. Chem. Phys. Lett. 153 (1991) 409
70. Luque F.J., Orozco M., Illias F., and Rubio J. J. Am. Chem. Soc. 113 (1991) 5203
71. Price S.L., Andrews J.S., Murray C.W., and Amos R.D. J. Am. Chem. Soc. 114 (1992) 8268
72. Parr R.G., and Yang W. Density Functional Theory of Atoms and Molecules (1989), Oxford University Press, New York
73. Politzer P., and Seminario J.M. Trends in Physical Chemistry 3 (1992) 175
74. In: Seminario J.M., and Politzer P. (Eds). Modern Density Functional Theory: A Tool For Chemistry (1995), Elsevier Science
75. Murray J.S., Seminario J.M., Concha M.C., and Politzer P. Int. J. Quant. Chem. 44 (1992) 113
76. Seminario J.M., Murray J.S., and Politzer P. In: Jeffrey G.A., and Piniella J.F. (Eds). The Applications of Charge Density Research to Chemistry and Drug Design (1991), Plenum Press, New York
77. Weinstein H., Politzer P., and Srebrenik S. Theoret. Chim. Acta (Berl.) 38 (1975) 159
78. Sen K.D., and Politzer P. J. Chem. Phys. 91 (1989) 5123
79. Gadre S.R., and Pathak R.K. Proc. Indian Acad. Sci. (Chem. Sci.) 106 (1990) 189
80. Pathak R.K., and Gadre S.R. J. Chem. Phys. 93 (1990) 1770
81. Gadre S.R., and Shrivastava I.H. J. Chem. Phys. 94 (1991) 4384
82. Gadre S.R., Kulkarni S.A., and Shrivastava I.H. J. Chem. Phys. 96 (1992) 5253
83. Gadre S.R., Kulkarni S.A., Suresh C.H., and Shrivastava I.H. Chem. Phys. Lett. 239 (1995) 273
84. Jug K., and Kölle C. Proc. Indian Acad. Sci. (Chem. Sci.) 106 (1994) 283
85. Shrivastava I.H., and Gadre S.R. Int. J. Quant. Chem. 49 (1994) 397
86. Sen K.D., Seminario J.M., and Politzer P. J. Chem. Phys. 90 (1989) 4373
87. Sen K.D. In: Sen K.D. (Ed). Chemical Hardness (19931), Springer-Verlag, Berlin 87
88. Kumar A., Mohan C.G., and Mishra P.C. Int. J. Quant. Chem. 55 (1995) 53
89. C.G. Mohan, Anil Kumar and P.C. Mishra, Int. J. Quant. Chem., (In press)
90. Kumar A., Mohan C.G., and Mishra P.C. J. Mol. Struct. (Theochem) 000 (1995) 000
91. Jug K., and Maksić Z.B. In: Maksić Z.B. (Ed). Theoretical Models of Chemical Bonding, Part 4 (1991), Springer-Verlag, Berlin 235
92. Mulliken R.S. J. Chem. Phys. 23 (1955) 1833
93. Cioslowski J., Hay P.J., and Ritchie J.P. J. Phys. Chem. 94 (1990) 148
94. Fliszar S. Charge Distribution and Chemical Effects (1983), Springer-Verlag, Berlin
95. Hall G.G. Adv. At. Mol. Phys. 20 (1985) 41
96. Löwdin P.O. J. Chem. Phys. 18 (1950) 63
97. Carlson B.C., and Keller J.H. Phys. Rev. 105 (1957) 102
98. Z.B. Maksić, Z. Naturf, 36A (1981) 373.
99. Reed A.E., Weinstock R.B., and Weinhold F. J. Chem. Phys. 83 (1985) 735
100. Reed A.E., and Weinhold F. J. Chem. Phys. 78 (1983) 4066
101. Collins J.B., and Streitwiser A. J. Comp. Chem. 1 (1980) 81
102. Politzer P., and Strout Jr. E.W. Chem. Phys. Lett. 8 (1971) 519
103. Bader R.F.W., and Stephens M.E. Chem.Phys. Lett. 26 (1974) 445
104. Bader R.F.W., and Stephens M.E. J. Am. Chem. Soc. 97 (1974) 7391
105. Politzer P., and Harris R.R. J. Am. Chem. Soc. 92 (1970) 6451
106. Parr R.G., Donnelly R.A., Levy M., and Palke W.E. J. Chem. Phys. 68 (1978) 3801
107. Parr R.G., and Person R.G. J. Am. Chem. Soc. 105 (1983) 7512
108. Politzer P., and Weinstein H. J. Chem. Phys. 71 (1979) 4218
109. Iczkowski R.P., and Margrave J.L. J. Am. Chem. Soc. 83 (1961) 3547
110. Hinze J., and Jaffé H.H. J. Am. Chem. Soc. 84 (1962) 540
111. Hinze J., Whitehead M.A., and Jaffé H.H. J. Am. Chem. Soc. 85 (1963) 148
112. Sanderson R.T. Science (1951) 670
113. Huheey J.E. J. Phys. Chem. 69 (1965) 3284
114. Huheey J.E. J. Phys. Chem. 70 (1966) 2086
115. Sanderson R.T. Chemical Bonds and Energy (1976), Academic Press, New York 15
116. Gasteiger J., and Marsili M. Tetrahedron 36 (1980) 3219
117. Guillen M.D., and Gasteiger J. Tetrahedron 39 (1983) 1331
118. Mortier W.J., Genechten K.V., and Gasteiger J. J. Am. Chem. Soc. 107 (1985) 829
119. Mortier W.J., Ghosh S.K., and Shankar S. J. Am. Chem. Soc. 108 (1986) 4315
120. Hammarström L.G., Liljefors T., and Gasteiger J. J. Comp. Chem. 9 (1988) 424
121. Huheey J.E. J. Org. Chem. 31 (1966) 2365
122. Huheey J.E., and Evans R.S. J. Inorg. Nucl. Chem. 32 (1970) 777
123. Politzer P., Huheey J.E., Murray J.S., and Grodzicki M. J. Mol. Struct. (Theochem) 259 (1992) 99
124. No K.T., Grant J.A., and Scheraga H.A. J. Phys. Chem. 94 (1990) 4732
125. No K.T., Grant J.A., Jhon M.S., and Scheraga H.A. J. Phys. Chem. 94 (1990) 4740
126. Momany F.A. J. Phys. Chem. 82 (1978) 592
127. Cox S.R., and Williams D.E. J. Comp. Chem. 2 (1981) 304
128. Singh U.C., and Kollman P.A. J. Comp. Chem. 5 (1984) 129
129. Chirlian L.E., and Francl M.M. J. Comp.Chem. 8 (1987) 894
130. Woods R.J., Khalil M., Pell W., Moffatt S.M., and Smit Jr. W.H. J. Comp. Chem. 11 (1990) 297
131. Weiner S.J., Kollman P.A., Case D.A., Singh U.C., Ghio C., Alagona G., Profeta S., and Weiner P. J. Am. Chem. Soc. 106 (1984) 765
132. Chirlian L.E., and Francl M.M. QCPE Bull. 7 (1987) 324
133. Breueman C.M., and Wiberg K.B. J. Comp. Chem. 11 (1990) 361
134. Chung-Phillips A. J. Comp. Chem. 10 (1989) 17
135. Miertus S., Scrocco E., and Tomasi J. Chem. Phys. 55 (1981) 117
136. Besler B.H., Merz K.M., and Kollman P.A. J. Comp. Chem. 11 (1990) 43l
137. Bonaccorsi R., Scrocco E., and Tomasi J. J. Am. Chem. Soc. 99 (1977) 4546
138. Williams D.E., and Weller R.R. J. Am. Chem. Soc. 105 (1983) 4143
139. Williams D.E., and Houpt D.J. Acta. Crystall. B42 (1986) 286
140. Williams D.E. J. Comp. Chem. 9 (1988) 745
141. Williams D.E., and Yan J.-M. Adv. At. Mol. Phys. 23 (1988) 85
142. Westbrook J.D., Levy R.M., and Krogh-Jespersen K. J. Comp. Chem. 13 (1992) 979
143. Alemán C., and Luque F.J. J. Comp. Chem. 14 (1993) 799
144. Tasi G., Kiricsi I., and Förster H. Magy. Kém. Foly. 97 (1991) 441
145. Tasi G., Kiricsi I., and Förster H. J. Comp. Chem. 13 (1992) 371
146. Tasi G., Pálinkó I., Nyerges L., Fejes P., and Förster H. J. Chem. Inf. Comput. Sci. 33 (1993) 296
147. Orozco M., and Luque F.J. J. Comp. Chem. 11 (1990) 909
148. Agresti A., Bonaccorsi R., and Tomasi J. Theoret. Chim. Acta 53 (1979) 215
149. Price S.L., Harrison R.J., and Guest M.F. J. Comp. Chem. 10 (1989) 552
150. Reynolds C.A., Essex J.W., and Richards W.G. J. Am. Chem. Soc. 114 (1992) 9075
151. Binkley J.S., Pople J.A., and Hehre W.J. J. Am. Chem. Soc. 102 (1980) 939
152. Hariharan P.C., and Pople J.A. Theor. Chim. Acta 28 (1978) 213
153. Brookhaven Databank (1973), Brookhaven National Laboratory, Chemistry Department, Upton, New York
154. Ponder J.W., and Richards F.M. J. Mol.Biol. 193 (1987) 775
155. Essex J.W., Reynolds C.A., and Richards W.G. J. Am. Chem. Soc. 114 (1992) 3634
156. Chipot C., Maigret B., Rivail J.-L., and Scheraga H.A. J. Am. Chem. Soc. 96 (1992) 10276
157. Hariharan P.C., and Pople J.A. Chem. Phys. Lett. 16 (1972) 217
158. Hehre W.J., Radom L., Schleyer P.V.R., and Pople J.A. Ab-initio Molecular Orbital Theory (1986), Wiley, New York
159. Gadre S.R., Pundlik S.S., and Shrivastava I.H. Proc. Ind. Acad. Sci.(Chem. Sci.) 106 (1994) 303
160. Foster J.M., and Boys S.F. Rev. Mod. Phys. 32 (1960) 300
161. Price S.L., and Stone A.J. J. Chem. Soc. Faraday Trans. 88 (1992) 1755
162. Weiner S.J., Kollman P.A., Nguyen D.T., and Case D.A. J. Comput. Chem. 7 (1986) 230
163. Brooks B.R., Bruccoleri R.E., Olafson B.D., States D.J., Swaminathan S., and Karplus M. J. Comput. Chem. 4 (1983) 187
164. Stone A.J. Chem. Phys. Lett. 83 (1981) 233
165. Issue 4.0. Amos R.D., and Rice J.E. CADPAC : The Cambridge Analytical Derivatives Package (1987), Cambridge University
166. Li J.-H., and Allinger N.L. J.Comput. Chem. 12 (1991) 186
167. Dosen-Micovic L., Jeremic D., and Allinger N.L. J. Am. Chem. Soc. 105 (1983) 1716
168. Rappé A.K., and Goddard III W.A. J. Phys. Chem. 95 (1991) 358
169. Weiner P.K., Langridge R., Blaney J.M., Schaeffer R., and Kollman P.A. Proc. Natl. Acad. Sci., (USA) 79 (1982) 3754
170. Richards F.M. Annu. Rev. Biophys. Bioeng. 6 (1977) 151
171. Ho C.M.W., and Marshall G.R. J. Comput.-Aided Mol. Des. 4 (1990) 37
172. Bohacek R.S., and McMartin C. J. Med.Chem. 35 (1992) 1671
173. Gasteiger J., Li X., Rudolph C., and Zupan J. J. Am. Chem. Soc. 116 (1994) 4608
174. Crane B.R., Siegel L.M., and Getzoff E.D. Science 270 (1995) 59
175. Chau P.L., and Dean P.M. J. Mol. Graphics 5 (1987) 97
176. Chou P.L., and Dean P.M. J. Mol. Graphics 5 (1987) 152
177. Blaney F., Finn P., Phippen R., and Wyatt M. J. Mol. Graphics 11 (1993) 98
178. Kohonen T. Biol. Cybern 43 (1982) 59
179. Kohonen T. Self-Organization and Associative Memory (1989), Springer, Berlin
180. Kohonen T. Proc. IEEE 78 (1990) 1460
181. Pullman A., and Pullman B. Quart. Rev. Biophys. 14 (1981) 289
182. Lavery R., Pullman A., and Pullman B. Int. J. Quant. Chem. 20 (1981) 49
183. Lee B., and Richards F.M. J. Mol. Biol. 55 (1971) 379
184. Lavery R., and Pullman A. Biophys. Chem. 19 (1984) 171
185. Ponnuswamy P.K., and Tyagrajan P. Biopolymers 17 (1978) 2503
186. Alden C.J., and Kim S.-H. J. Mol. Biol. 132 (1979) 411
187. Pullman B. Adv. Drug Res. 18 (1989) 1
188. Pèpe G., Siri D., and Reboul J.-P. J. Mol. Struct. (Theochem) 256 (1992) 175
189. Pèpe G. J. Mol. Graphics 7 (1989) 233
190. Pèpe G., Reboul J.-P., and Oddom Y. Eur. J. Med. Chem. 24 (1989) 1
191. Murray J.S., Seminario J.M., and Politzer P. J. Mol. Struct. (Theochem) 187 (1989) 95
192. Murray J.S., and Politzer P. Chem. Phys. Lett. 152 (1988) 364
193. Sjoberg P., Murray J.S., Brinck T., and Politzer P. Can. J. Chem. 68 (1990) 1440
194. Murray J.S., Seminario J.M., Politzer P., and Sjoberg P. Int. J. Quant. Chem.(Quant. Chem. Symp.) 24 (1990) 645
195. Brinck T., Murray J.S., Politzer P., and Carter R.E. J. Org. Chem. 56 (1991) 2934
196. Brinck T., Murray J.S., and Politzer P. J. Org. Chem. 56 (1991) 5012
197. Sjoberg P., and Politzer P. J. Phys Chem. 94 (1990) 3959
198. Politzer P., Landry S.J., and Warnheim T.J. J. Phys. Chem. 86 (1982) 4767
199. Franel M.M. J. Phys. Chem. 89 (1985) 428
200. Murray J.S., Lane P., and Politzer P. J. Mol. Struct. (Theochem) 209 (1990) 163
201. Murray J.S., Lane P., Brinck T., Politzer P., and Sjoberg P. J. Phys. Chem. 95 (1991) 844
202. Murray J.S., and Politzer P. J. Org. Chem. 56 (1991) 6715
203. Morrison R.T., and Boyd R.N. Organic Chemistry. 3rd ed. (1973), Allyn and Bacon, Boston
204. Kemp D.S., and Vellaccio F. Organic Chemistry (19801), Worth Publishers, New York
205. In: Windholz M. (Ed). The Merck Index. 10th ed. (1983), Merck & Co., Rahway
206. Kamlet M.J., Abboud J.-L.M., Abraham M.H., and Taft R.W. J. Org. Chem. 48 (1983) 2877
207. Kamlet M.J., and Taft R.W. J. Am. Chem. Soc. 98 (1976) 377
208. Kamlet M.J., Jones M.E., Taft R.W., and Abboud J.-L.M. J. Chem. Soc. Perkin Trans. 2 (1979) 342
209. Kamlet M.J., Solomonovici A., and Taft R.W. J. Am. Chem. Soc. 101 (1979) 3734
210. Kamlet M.J., Abboud J.-L.M., and Taft R.W. Prog. Phys. Org. Chem. 13 (1981) 485
211. Murray J.S., Ranganathan S., and Politzer P. J. Org. Chem. 56 (1991) 3734
212. Politzer P., and Laurence P.R. Carcinogenesis 5 (1984) 845
213. Douhal A., Kim S.K., and Zewail A.H. Nature 378 (1995) 260
214. Goodman M.F. Nature 378 (1995) 237
215. Watson J.D., and Crick F.H.C. Nature 171 (1953) 964
216. Politzer P., Elminyawi I.M., Lane P., and McKenney Jr. R.L. J. Mol. Struct. (Theochem) 201 (1989) 117
217. Mohan C.G., Kumar A., and Mishra P.C. Int. J. Quant. Chem. 48 (1993) 233
218. Mohan C.G., and Mishra P.C. Proc. Indian Acad. Sci. (Chem. Sci.) 106 (1994) 277
219. Sarma R., Lee C., Evans F., Yathindra N., and Sundarlingam M. J. Am. Chem. Soc. 96 (1974) 7337
220. Sowers L.C., Fazakerley G.V., Kim H., Dalton L., and Goodman M.F. Biochemistry 25 (1983) 3983
221. McConnell B. Biochemistry 13 (1974) 4516
222. Murray J.S., and Politzer P. In: Politzer P., and Murray J.S. (Eds). Quantitative Teatments of Solute/Solvent Interactions (1994), Elsevier, Amsterdam
223. Series No. 586, Chapter 8. Polizer P., Murray J.S., Brinck T., and Lane P. Immunoanalysis of Agrochemicals: Emerging Technologies. In: Nelson J.O., Karu A.E., and Wang R.B. (Eds). ACS Symposium (1995)
224. Murray J.S., Lane P., Brinck T., Paulsen K., Grice M.E., and Politzer P. J. Phys. Chem. 97 (1993) 9369
225. Politzer P., Murray J.S., Lane P., and Brinck T. J. Phys. Chem. 97 (1993) 729
226. Murray J.S., Lane P., Brinck T., and Plitzer P. J. Phys. Chem. 97 (1993) 5144
227. Politzer P., Lane P., Murray J.S., and Brinck T. J. Phys. Chem. 96 (1992) 7938
228. Murray J.S., Brink T., and Politzer P. J. Phys. Chem. 97 (1993) 13807
229. Brinck T., Murray J.S., and Politzer P. J. Org. Chem. 58 (1993) 7070
230. Politzer P., Murray J.S., Concha M.C., and Brinck T. J. Mol. Struct. (Theochem) 281 (1993) 107
231. Murray J.S., Lane P., and Politzer P. Mol. Phys. 85 (1995) 1
232. Pullman B., and Lavery R. Landolt-Börnstein Vol. 1 (1990), Springer-Verlag, Berlin 349
233. Briscoe W.T., and Cotter L.E. Chem. Biol. Interact. 52 (1984) 103
234. Hingerty B.E., Richie R.H., Ferrell T.L., and Turner J.E. Biopolymers 24 (1985) 427
235. Náy-Szabó G. J. Mol. Recogn. 6 (1993) 205
236. Lee F.S., Chu Z.T., Bolger M.B., and Warshel A. Protein Eng. 5 (1992) 215
237. Douglas J.E., and Kollman P.A. J. Am. Chem. Soc. 102 (1980) 4295
238. Nakamura H., Komatsu K., Nakagawa S., and Umeyama H. J. Mol. Graphics 3 (1985) 2
239. Huber R., Kukla D., Bode W., Schwager P., Bartels K., Deisenhofer J., and Steigemann W. J. Mol. Biol. 89 (1974) 73
240. Huber R., and Deisenhofer J. Protein Data Bank Entry 2PTC (1982)
241. Sjoberg P., Murray J.S., Brinck T., Evans P., and Politzer P. J. Mol. Graphics 8 (1990) 81
242. Bonati L., Fraschini E., and Pitea D. In: Bonati L., Cosentino U., Lasagni M., Moro G., Pitea D., and Schiraldi A. (Eds). Trends in ecological physical chemistry (1993), Elsevier, Amsterdam 27
243. Bonati L., Fraschini E., Lasagni M., and Pitea D. J. Mol. Struct. (Theochem) 303 (1994) 43
244. Bonati L., Fraschini E., Lasagni M., Modoni E.P., and Pitea D. J. Mol. Struct. (Theochem) 000 (1995) 000
245. Mol C.D., Arvai A.S., Slupphaug G., Kavil B., Alseth I., Krokan H.E., and Tainer J.A. Cell 80 (1995) 869
246. Renaud J.-P., Rochel N., Ruff M., Vivat V., Chambon P., Gronemeyer H., and Moras D. Nature 378 (1995) 681
247. Galanakis D., Davis C.A., Herrero B.D.R., Ganellin C.R., Dunn P.M., and Jenkinson D.H. J. Med. Chem. 38 (1995) 595
248. Imoto K., Busch C., Sakmann B., Mishina M., Konno T., Nakai J., Bujo H., Mori Y., Fukuda K., and Numa S. Nature 335 (1995) 645
249. Nilsson B.M., Sundquist S., Johansson G., Nordvall G., Glas G., Nilvebrant L., and Hacksell U. J. Med. Chem. 38 (1995) 473
250. Orlek B.S., Blaney F.E., Brown F., Clark M.S.G., Hadley M.S., Hatcher J., Riley G.J., Rosenberg H.E., Wadsworth H.J., and Wymon P. J. Med. Chem. 34 (1991) 2726
251. Wadsworth H.J., Jenkins S.M., Orlek B.S., Cassidy F., Clark M.S.G., Brown F., Riley G.J., Graves D., Hawkins J., and Naylor C.B. J. Med. Chem. 35 (1992) 1280
252. Ponec R. In: Sen K.D. (Ed). Molecular Similarity II (Topics in Curr. Chem.) Vol. 174 (1995), Springer-Verlag, Berlin 1
253. Benigni R., Cotta-Ramusino M., Giorgi F., and Gallo G. J. Med. Chem. 38 (1995) 629
254. Richards W.G. Computer-aided Molecular Design (1989), IBC Technical Services, London
255. Takahashi Y. In: Sen K.D. (Ed). Molecular Similarity II (Topics in Curr. Chem.) Vol. 174 (1995), Springer-Verlag, Berlin 145
256. Carbo R., and Domingo L. Int. J. Quant. Chem. 32 (1987) 517
257. Hodgkin E.E., and Richards W.G. Int. J. Quant. Chem. (Quant. Biol. Symp.) 14 (1987) 105
258. F. Sanz, An Approach to Explore Electrostatic Similarity Between Biomolecules, plenary lecture at First Girona Seminar on Molecular Similarity, July 8-10, Girona (Spain).
259. Good A.C. J. Mol. Graphics 10 (1992) 144
260. Good A.C., Peterson S.J., and Richards W.G. J. Med. Chem. 36 (1993) 2929
261. Seri-Levy A., West S., and Richards W.G. J. Med. Chem. 37 (1994) 1727
262. Burt C., Richards W.G., and Huxley P. J. Comp. Chem. 11 (1990) 1139
263. Sanz F., Manaut F., Sanchez J.A., and Lozoya E. J. Mol. Struct. (Theochem) 230 (1991) 437
264. Manaut F., Sanz F., José J., and Milesi M. J. Comp-Aided Mol. Design 5 (1991) 371
265. Manaut F., Lozoya E., and Sanz F. In: Silipo C., and Vittoria A. (Eds). QSAR: Rational Approaches to the Design of Bioactive Compounds (1991), Elsevier Science Publishers B.V., Amsterdam 339
266. Sanz F., Manaut F., Rodríguez J., Lozoya E., and López-de-Briñas E. J. Comp-Aided Mol. Design 7 (1993) 337
267. Sanz F., Manaut F., Dot T., Lozoya E., and López-de-Briñas E. J. Mol. Struct. (Theochem) 256 (1992) 287
268. Rodriguez J., Manaut F., and Sanz F. J. Comp. Chem. 14 (1993) 922
269. Burgess E.M., Ruell J.A., and Zalkow L.H. J. Med. Chem. 38 (1995) 11635
270. Campiani G., Garofalo A., Fiorini I., Botta M., Nacci V., Taft A., Chiarini A., Budriesi R., Bruni G., and Romeo M.R. J. Med. Chem. 38 (1995) 4393
271. Horwell D.C., Howson W., Higginbottom M., Naylor D., Ratcliffe G.S., and Williams S. J. Med. Chem. 38 (1995) 4454
272. Maruenda H., and Johnson F. J. Med. Chem. 38 (1995) 2145
273. Kelley J.L., Davis R.G., McLean W., Glen R.C., Soroko F.E., and Cooper B.R. J. Med. Chem. 38 (1995) 3884
274. Kaufman J.J. Int. J. Quant. Chem. (QBS) 4 (1977) 375
275. Weinstein H., Maayani S., Srebrenik S., Cohen S., and Sokolovsky M. Mol. Pharmacol. 11 (1975) 671
276. Weinstein H., Osman R., Green J.P., and Topial S. In: Politzer P., and Truhlar D.G. (Eds). Chemical Applications of Atomic and Molecular Electrostatic Potentials (1981), Plenum Press, New York 309
277. Dargelos A., El Ouadi S., Liotard D., Chaillet M., and Elguero J. Chem. Phys. Lett. 51 (1977) 545
278. Edwards W.D., and Weinstein H. Chem. Phys. Lett. 56 (1978) 582
279. Santosh C., and Mishra P.C. J. Mol. Struct. (Theochem) 306 (1994) 77
280. Hadzi D., Kidric J., Koller J., and Mavri J. J. Mol.Struct. (Theochem) 237 (1990) 139
281. Nair A.C., and Mishra P.C. Indian J. Biochem. Biophys. 31 (1994) 496
282. Eriks J.C., Van de Goot H., Sterk G.J., and Timmerman H. J. Med. Chem. 35 (1992) 3239
283. D.-op den Kelder G.M., Haaksma E.E.J., and Timmerman H. In: Van der Goot H., Domany G., Pallos L., and Timmerman H. (Eds). Trends in Medicinal Chemistry '88' (1989), Elsevier, Amsterdam 365
284. Weinstein H., Chou D., Johnson C.L., Kand S., and Green J.P. Mol. Pharmacol. 12 (1976) 738
285. Topial S., Weinstein H., and Osman R. J. Med. Chem. 27 (1984) 1531
286. Green J.P., Johnson C.L., and Weinstein H. In: Lipton M.A., Di Mascio A., and Killam K.F. (Eds). Psychopharmacology: A Generation of Progress (1978), Raven Press, New York 319
287. Alkorta I., and Villar H.O. J. Med. Chem. 37 (1994) 210
288. Boudon A., and Chretien J.R. C.R. Acad. Sci. Paris 307 II (1988) 505
289. Kumar A., and Mishra P.C. J. Mol. Struct. (Theochem) 277 (1992) 299
290. Kumar A., and Mishra P.C. J. Mol Struct. (Theochem) 288 (1993) 151
291. C. Santhosh and P.C. Mishra (To be published).
292. Meyer N.D., Haemers A., Mishra L., Pandey H.K., Pieters L.A.C., Van der Berghe D.A., and Vlietinck A.J. J. Med. Chem. 34 (1991) 736
293. Mathews D.P., McCorthy J.P., Whitten J.-P., Kastner P.R., Barney C.L., Marshall F.N., Ertel M.A., Burkhard T., Shea P.J., and Kataria T. J. Med. Chem. 33 (1990) 317
294. Kumar A., Bhattacharjee A.K., and Mishra P.C. Int. J. Quant. Chem. 43 (1992) 579
295. Kumar A., Bhattacharjee A.K., and Mishra P.C. J. Mol. Struct. (Theochem) 251 (1991) 359
296. Mohan C.G., Kumar A., and Mishra P.C. J. Mol. Struct. (Theochem) 332 (1995) 171
297. Bristol J.A., Sircar I., Moos W.H., Evans D.B., and Weishaar R.E. J. Med. Chem. 27 (1984) 1101
298. Shukla M.K., and Mishra P.C. J. Mol. Struct. (Theochem) 340 (1995) 159
299. Martens M.E., Storey B.T., and Lee C.P. Arch. Biochem. Biophys. 252 (1987) 91
300. Shukla M.K., and Mishra P.C. J. Mol. Struct. (Theochem) 285 (1993) 143
301. Pegg A.E. Cancer Res. 50 (1990) 6119
302. Nair A.C., and Mishra P.C. J. Mol. Struct. (Theochem) 315 (1994) 203
303. Moschel R.C., Mc Dougall M.G., Dolan M.E., Stine L., and Pegg A.E. J. Med. Chem. 35 (1992) 4486
304. A.C. Nair and P.C. Mishra, J. Mol. Struct. (Theochem), (In press).
305. Santhosh C., and Mishra P.C. Int. J. Quant. Chem. 51 (1994) 335
306. Shallenberger R.S., and Acree T.E. Nature 216 (1967) 480