| Year |
Citation |
Score |
| 2009 |
Gresh N, Pullman A. Theoretical study of the 2:1 Mg2+ and Ca2+ complexes of ionophore A23187 International Journal of Quantum Chemistry. 24: 215-229. DOI: 10.1002/Qua.560240723 |
0.533 |
|
| 2009 |
Lavery R, Cauchy D, De La Luz Rojas O, Pullman A. Molecular electrostatic potential of the b-dna helix. VII. effect of screening by monovalent cations International Journal of Quantum Chemistry. 18: 323-330. DOI: 10.1002/Qua.560180731 |
0.315 |
|
| 2009 |
Pullman A, Pullman B. Electrostatic effect of the macromolecular structure on the biochemical reactivity of the nucleic acids. Significance for chemical carcinogenesis International Journal of Quantum Chemistry. 18: 245-259. DOI: 10.1002/Qua.560180724 |
0.518 |
|
| 2009 |
Gresh N, Claverie P, Pullman A. Intermolecular interactions: Reproduction of the results of ab initio supermolecule computations by an additive procedure International Journal of Quantum Chemistry. 16: 243-253. DOI: 10.1002/Qua.560160826 |
0.551 |
|
| 2009 |
Perahia D, Pullman A, Pullman B. Molecular electrostatic potential of the B-DNA helix. V. Poly(dG·dC) and poly(dA·dT) International Journal of Quantum Chemistry. 16: 353-363. DOI: 10.1002/Qua.560160723 |
0.472 |
|
| 2009 |
Pullman B, Pullman A, Berthod H. SCF ab initio study of the “through-water” versus “direct” binding of the Na+ and Mg2+ cations to the phosphate anion International Journal of Quantum Chemistry. 14: 79-90. DOI: 10.1002/Qua.560140711 |
0.565 |
|
| 2009 |
Lavery R, Pullman A, Pullman B. Model quantum-chemical studies on the reaction between the candidate proximate carcinogen benzo(a)pyrene-7,8-dihydrodiol-9,10-epoxide and guanine International Journal of Quantum Chemistry. 14: 21-34. DOI: 10.1002/Qua.560140707 |
0.509 |
|
| 2009 |
Pullman A, Gresh N, Daudey JP, Moskowitz JW. The use of pseudopotentials for the study of cation-ligand and intermolecular interactions International Journal of Quantum Chemistry. 12: 501-507. DOI: 10.1002/QUA.560120857 |
0.505 |
|
| 2009 |
Pullman A, Berthod H. An ab initio study of a nucleoside: Uridine International Journal of Quantum Chemistry. 12: 327-336. DOI: 10.1002/Qua.560120732 |
0.38 |
|
| 2009 |
Pullman A, Berthod H, Gresh N. Cation-ligand interactions: Ab Initio SCF studies of the binding properties of alkali, alkaline-earth, and ammonium ions International Journal of Quantum Chemistry. 10: 59-76. DOI: 10.1002/Qua.560100806 |
0.545 |
|
| 2009 |
Pullman A. Ab initio studies on the binding of Na+ and K+ to the fundamental components of depsipeptides International Journal of Quantum Chemistry. 8: 33-42. DOI: 10.1002/Qua.560080707 |
0.332 |
|
| 2009 |
Pullman A. A comparative study of different all-valence-electrons calculations on biological purines and pyrimidines International Journal of Quantum Chemistry. 2: 187-205. DOI: 10.1002/Qua.560020719 |
0.303 |
|
| 2001 |
Pullman A, Berthier G, Savinelli R. Components of the interaction energy of benzene with Na+ and methylammonium cations Journal of Molecular Structure: Theochem. 537: 163-172. DOI: 10.1016/S0166-1280(00)00673-4 |
0.361 |
|
| 2000 |
Berthier G, Savinelli R, Pullman A. Cation π interaction between acetylcholine and the benzene ring Theoretical Chemistry Accounts. 104: 78-81. DOI: 10.1007/S002149900107 |
0.332 |
|
| 1995 |
Pullman A, Jortner J, Pullman B. Preface Molecular Engineering. 5: vii. DOI: 10.1007/BF00999572 |
0.364 |
|
| 1991 |
Wang J, Pullman A. A program for flexible lattice energy minimization (FLATER) and its application to the study of protein-lipid copacking International Journal of Quantum Chemistry. 40: 317-342. DOI: 10.1002/Qua.560400728 |
0.339 |
|
| 1990 |
Wang J, Pullman A. The intrinsic molecular potential of glyceryl monooleate layers and its effect on the conformation and orientation of an inserted molecule: example of gramicidin A. Biochimica Et Biophysica Acta. 1024: 10-8. PMID 1692482 DOI: 10.1016/0005-2736(90)90203-Z |
0.312 |
|
| 1988 |
Etchebest C, Pullman A. Energy profile of Cs+ in gramicidin A in the presence of water. Problem of the ion selectivity of the channel. Journal of Biomolecular Structure & Dynamics. 5: 1111-25. PMID 2482762 DOI: 10.1080/07391102.1988.10506452 |
0.324 |
|
| 1988 |
Langlet J, Claverie P, Caillet J, Pullman A. Improvements of the continuum model. 1. Application to the calculation of the vaporization thermodynamic quantities of nonassociated liquids Journal of Physical Chemistry. 92: 1617-1631. |
0.514 |
|
| 1986 |
Etchebest C, Pullman A. The gramicidin A channel: energetics and structural characteristics of the progression of a sodium ion in the presence of water. Journal of Biomolecular Structure & Dynamics. 3: 805-25. PMID 2482047 DOI: 10.1080/07391102.1986.10508463 |
0.306 |
|
| 1986 |
Gresh N, Claverie P, Pullman A. Intermolecular interactions: Elaboration on an additive procedure including an explicit charge-transfer contribution International Journal of Quantum Chemistry. 29: 101-118. DOI: 10.1002/Qua.560290110 |
0.535 |
|
| 1986 |
GRESH N, PULLMAN A. ChemInform Abstract: Cation-Ionophore Interactions: Quantification of the Factors Underlying Selective Complexation by Means of Theoretical Computations Chemischer Informationsdienst. 17. DOI: 10.1002/chin.198608337 |
0.503 |
|
| 1985 |
Etchebest C, Pullman A. The effect of the amino-acid side chains on the energy profiles for ion transport in the gramicidin A channel. Journal of Biomolecular Structure & Dynamics. 2: 859-70. PMID 2477030 DOI: 10.1080/07391102.1985.10507605 |
0.308 |
|
| 1985 |
Pullman A, Claverie P, Cluzan MC. On the binding of water to the ammonium ion: The interplay of an improved basis set. Dispersion and zero-point energy Chemical Physics Letters. 117: 419-423. DOI: 10.1016/0009-2614(85)80275-X |
0.548 |
|
| 1985 |
Etchebest C, Pullman A, Ranganathan S. The gramicidin A channel: theoretical energy profile computed for single occupancy by a divalent cation, Ca2+ Bba - Biomembranes. 818: 23-30. DOI: 10.1016/0005-2736(85)90133-6 |
0.318 |
|
| 1985 |
Gresh N, Pullman A, Claverie P. Theoretical studies of molecular conformation. II: Application of the SIBFA procedure to molecules containing carbonyl and carboxylate oxygens and amide nitrogens Theoretica Chimica Acta. 67: 11-32. DOI: 10.1007/Bf00555018 |
0.697 |
|
| 1985 |
Gresh N, Pullman A, Claverie P. Cation-ligand interactions: Reproduction of extended basis set Ab initio SCF computations by the SIBFA 2 additive procedure International Journal of Quantum Chemistry. 28: 757-771. DOI: 10.1002/Qua.560280610 |
0.548 |
|
| 1984 |
Gresh N, Claverie P, Pullman A. Theoretical studies of molecular conformation. Derivation of an additive procedure for the computation of intramolecular interaction energies. Comparison with ab initio SCF computations Theoretica Chimica Acta. 66: 1-20. DOI: 10.1007/Bf00577135 |
0.712 |
|
| 1984 |
Lavery R, Zakrzewska K, Pullman A. Optimized monopole expansions for the representation of the electrostatic properties of the nucleic acids Journal of Computational Chemistry. 5: 363-373. DOI: 10.1002/Jcc.540050414 |
0.325 |
|
| 1983 |
Lavery R, Pullman A, Pullman B. The electrostatic field of the component units of DNA and its relationship to hydration. Biophysical Chemistry. 17: 75-86. PMID 6824764 DOI: 10.1016/0301-4622(83)87016-1 |
0.534 |
|
| 1983 |
Pullman A, Pullman B, Lavery R. Molecular electrostatic potential versus field. significance for DNA and its constituents. Journal of Molecular Structure: Theochem. 93: 85-91. DOI: 10.1016/0166-1280(83)80093-1 |
0.461 |
|
| 1982 |
Pullman B, Lavery R, Pullman A. Two aspects of DNA polymorphism and microheterogeneity: molecular electrostatic potential and steric accessibility. European Journal of Biochemistry / Febs. 124: 229-38. PMID 7094914 DOI: 10.1111/J.1432-1033.1982.Tb06582.X |
0.529 |
|
| 1982 |
Lavery R, Etchebest C, Pullman A. Calculation of the molecular electrostatic potential from a multipole expansion based on localized orbitals Chemical Physics Letters. 85: 266-270. DOI: 10.1016/0009-2614(82)80290-X |
0.332 |
|
| 1982 |
Lavery R, Pullman A, Pullman B. The electrostatic field of B-DNA Theoretica Chimica Acta. 62: 93-106. DOI: 10.1007/Bf00581476 |
0.505 |
|
| 1982 |
Etchebest C, Lavery R, Pullman A. The calculation of molecular electrostatic potential from a multipole expansion based on localized orbitals and developed at their centroids: Accuracy and applicability for macromolecular computations Theoretica Chimica Acta. 62: 17-28. DOI: 10.1007/Bf00551050 |
0.347 |
|
| 1982 |
Gresh N, Pullman A. Theoretical study of the interaction of nonactin with Na+, K+, and NH4+ International Journal of Quantum Chemistry. 22: 709-716. DOI: 10.1002/Qua.560220405 |
0.574 |
|
| 1982 |
Gresh N, Claverie P, Pullman A. Computations of intermolecular interactions: Expansion of a charge-transfer energy contribution in the framework of an additive procedure. Applications to hydrogen-bonded systems International Journal of Quantum Chemistry. 22: 199-215. DOI: 10.1002/Qua.560220118 |
0.512 |
|
| 1981 |
Pullman A, Pullman B. Molecular electrostatic potential of the nucleic acids. Quarterly Reviews of Biophysics. 14: 289-380. PMID 7027300 DOI: 10.1017/S0033583500002341 |
0.564 |
|
| 1981 |
Ribas Prado F, Giessner-Prettre C, Pullman A, Hinton JF, Harpool D, Metz KR. Non empirical quantum mechanical calculations of the1H,13C,15N and17O magnetic shielding constants and of the spin-spin coupling constants in formamide, hydrated formamide and N-methylformamide Theoretica Chimica Acta. 59: 55-69. DOI: 10.1007/Bf00574436 |
0.308 |
|
| 1981 |
Lavery R, Corbin S, Pullman A. The electrostatic molecular potential of tRNAPhe. V. The influence of counterion binding on the potential and the steric accessibility International Journal of Quantum Chemistry. 20: 171-183. DOI: 10.1002/Qua.560200715 |
0.337 |
|
| 1981 |
Gresh N, Etchebest C, de la Luz Rojas O, Pullman A. A theoretical study of the selective alkali and alkaline-earth cation binding properties of valinomycin International Journal of Quantum Chemistry. 20: 109-116. DOI: 10.1002/QUA.560200709 |
0.514 |
|
| 1981 |
Pullman B, Pullman A. Structural factors involved in the binding of netropsin and distamycin A to nucleic acids Studia Biophysica. 86: 95-102. |
0.459 |
|
| 1980 |
Zakrzewska K, Lavery R, Pullman A, Pullman B. The electrostatic potential and steric accessibility of reactive sites within Z-DNA. Nucleic Acids Research. 8: 3917-32. PMID 7443517 DOI: 10.1093/Nar/8.17.3917 |
0.531 |
|
| 1980 |
Lavery R, Pullman A, Pullman B. The electrostatic molecular potential of yeast tRNAPhe. (I). The potential due to the phosphate backbone. Nucleic Acids Research. 8: 1061-79. PMID 7003554 DOI: 10.1093/Nar/8.5.1061 |
0.565 |
|
| 1980 |
Lavery R, Pullman A, Pullman B, de Oliveira M. The electrostatic molecular potential of tRNAPhe. IV. The potentials and steric accessibilities of sites associated with the bases. Nucleic Acids Research. 8: 5095-111. PMID 7003548 DOI: 10.1093/Nar/8.21.5095 |
0.547 |
|
| 1980 |
Lavery R, Pullman A, Pullman B. The electrostatic molecular potential of yeast tRNA. (I). The potential due to the phosphate backbone Nucleic Acids Research. 8: 1061-1079. DOI: 10.1093/nar/8.5.1061 |
0.474 |
|
| 1980 |
Prado FR, Giessner-Prettre C, Daudey JP, Pullman A, Hinton JF, Young G, Harpool D. Nuclear magnetic resonance spectroscopy applied to Li+ complexation by small ligands: An ab initio and experimental study of 7Li chemical shifts Journal of Magnetic Resonance (1969). 37: 431-440. DOI: 10.1016/0022-2364(80)90048-7 |
0.565 |
|
| 1980 |
Lavery R, Pullman A, Pullman B. The electrostatic molecular potential of yeast tRNAPhe. III. The molecular potential and the steric acessibility associated with the phosphate groups Theoretica Chimica Acta. 57: 233-243. DOI: 10.1007/Bf00554104 |
0.567 |
|
| 1980 |
Berthod H, Pullman A. Affinities of Ammonia and Methylamine for H+, Li+, K+and CH3+An Ab Initio SCF Study with Large Basis Sets Israel Journal of Chemistry. 19: 299-304. DOI: 10.1002/Ijch.198000036 |
0.305 |
|
| 1979 |
Orita Y, Ando A, Abe H, Yamabe S, Berthod H, Pullman A. Quantum mechanical studies of environmental effects on biomolecules Theoretica Chimica Acta. 54: 73-82. DOI: 10.1007/Bf02394619 |
0.349 |
|
| 1979 |
Perahia D, Pullman A, Pullman B. The molecular electrostatic potential of the B-DNA helix - III. The potential due to the sugar-phosphate backbone Theoretica Chimica Acta. 51: 349-357. DOI: 10.1007/Bf00548943 |
0.526 |
|
| 1979 |
Pullman A, Zakrzewska C, Perahia D. Molecular electrostatic potential of the B-DNA helix. I. Region of the guanine-cytosine base pair International Journal of Quantum Chemistry. 16: 395-403. DOI: 10.1002/Qua.560160219 |
0.349 |
|
| 1979 |
Pullman A, Ebbesen T, Rholam M. Cation binding to biomolecules - VI. SCF ab initio (Pseudopotential) computations on the interaction of Zn2+ with the purine and pyrimidine bases of the nucleic acids Theoretica Chimica Acta. 51: 247-254. DOI: 10.1002/Chin.197928332 |
0.364 |
|
| 1978 |
Demoulin D, Pullman A. An ab initio theoretical study of the binding of ZnII with biologically significant ligands: CO2, H2O, OH-, imidazole, and imidazolate Theoretica Chimica Acta. 49: 161-181. DOI: 10.1007/Pl00020513 |
0.317 |
|
| 1978 |
Pullman A, Pullman B, Berthod H. An SCF ab initio investigation of the "through-water" interaction of the phosphate anion with the Na+ cation Theoretica Chimica Acta. 47: 175-192. DOI: 10.1007/Bf00577160 |
0.56 |
|
| 1978 |
Berthod H, Pullman A. Quantum-mechanical exploration of the properties of the sugar rings - I. Electrostatic molecular potential, hydration and cation binding scheme of C3′-Endo-γ-ribose Theoretica Chimica Acta. 47: 59-66. DOI: 10.1007/Bf00554697 |
0.395 |
|
| 1978 |
Lavery R, Pullman A, Pullman B. On the relative acidity and basicity of the amino groups of the nucleic acid bases Theoretica Chimica Acta. 50: 67-73. DOI: 10.1007/Bf00552495 |
0.525 |
|
| 1978 |
Gresh N, Pullman A. On the use of pseudopotentials in molecular calculations Theoretica Chimica Acta. 49: 283-294. DOI: 10.1007/Bf00552480 |
0.558 |
|
| 1978 |
Perahia D, Pullman A. The molecular electrostatic potentials of the complementary base pairs of DNA Theoretica Chimica Acta. 48: 263-266. DOI: 10.1007/Bf00549025 |
0.344 |
|
| 1977 |
Hinton JF, Beeler A, Harpool D, Briggs RW, Pullman A. An ab-initio SCF study of the binding of Li+ to bases Chemical Physics Letters. 47: 411-415. DOI: 10.1016/0009-2614(77)85004-5 |
0.349 |
|
| 1977 |
Perahia D, Pullman A, Pullman B. Cation-binding to biomolecules - IV. An ab initio study on the interaction of Na+ with the purine and pyrimidine bases of the nucleic acids Theoretica Chimica Acta. 43: 207-214. DOI: 10.1007/Bf00551546 |
0.555 |
|
| 1977 |
Pullman B, Gresh N, Berthod H, Pullman A. Cation binding to biomolecules - V. Binding of alkali and alkaline-earth cations to the phosphate group Conformational effects on the phosphodiester linkage and the polar head of phospholipids Theoretica Chimica Acta. 44: 151-163. DOI: 10.1007/Bf00549098 |
0.669 |
|
| 1976 |
Perahia D, Pullman A, Pullman B. Cation-binding to biomolecules - II. An ab initio study on the interaction of Mg2+ with uracil Theoretica Chimica Acta. 42: 23-31. DOI: 10.1007/Bf00548288 |
0.531 |
|
| 1975 |
Pullman A, Berthod H, Gresh N. Quantum mechanical studies of environmental effects on biomolecules. An ab initio study of the hydration of dimethylphosphate Chemical Physics Letters. 33: 11-14. DOI: 10.1016/0009-2614(75)85442-X |
0.483 |
|
| 1975 |
Berthod H, Pullman A. The molecular electrostatic potential of the dimethyl phosphate anion: An ab initio study Chemical Physics Letters. 32: 233-235. DOI: 10.1016/0009-2614(75)85111-6 |
0.343 |
|
| 1975 |
Pullman B, Pullman A, Berthod H, Gresh N. Quantum-mechanical studies of environmental effects on biomolecules VI. Ab initio Studies on the hydration scheme of the phosphate group Theoretica Chimica Acta. 40: 93-111. DOI: 10.1007/Bf01135881 |
0.675 |
|
| 1974 |
Pullman A, Pullman B. New paths in the molecular orbital approach to solvation of biological molecules. Quarterly Reviews of Biophysics. 7: 505-66. PMID 4617235 DOI: 10.1017/S0033583500001529 |
0.529 |
|
| 1974 |
Pullman B, Pullman A. Molecular orbital calculations on the conformation of amino acid residues of proteins. Advances in Protein Chemistry. 28: 347-526. PMID 4598825 DOI: 10.1016/S0065-3233(08)60233-8 |
0.475 |
|
| 1974 |
Giessner-Prettre C, Pullman A. On the molecular electrostatic potentials obtained with CNDO and INDO wave functions Theoretica Chimica Acta. 33: 91-94. DOI: 10.1007/Bf00527629 |
0.305 |
|
| 1973 |
Pullman A, James GN. An ab initio SCF molecular orbital study of acetylcholine Theoretica Chimica Acta. 32: 77-79. DOI: 10.1002/Chin.197409111 |
0.316 |
|
| 1971 |
Pullman B, Pullman A. Electronic Aspects of Purine Tautomerism Advances in Heterocyclic Chemistry. 13: 77-159. DOI: 10.1016/S0065-2725(08)60349-9 |
0.511 |
|
| 1970 |
Daudey JP, Pullman A. Zero-field splitting parameters in heterocyclic molecules III. Explicit configuration mixing and double pertubation treatment including doubly excited configurations Chemical Physics Letters. 5: 347-350. DOI: 10.1016/0009-2614(70)85163-6 |
0.53 |
|
| 1969 |
Pullman B, Pullman A. Quantum-mechanical investigations of the electronic structure of nucleic acids and their constituents. Progress in Nucleic Acid Research and Molecular Biology. 9: 327-402. PMID 4305447 DOI: 10.1016/S0079-6603(08)60772-2 |
0.45 |
|
| 1968 |
Giessner-Prettre C, Pullman A. On the calculation of molecular dipole moments Theoretica Chimica Acta. 11: 159-164. DOI: 10.1007/Bf01184323 |
0.319 |
|
| 1967 |
Pullman A, Pullman B. Quantum Biochemistry Comprehensive Biochemistry. 22: 1-60. DOI: 10.1016/B978-1-4831-9712-8.50009-6 |
0.453 |
|
| 1963 |
PULLMAN A, PULLMAN B. ON THE MECHANISM OF ULTRAVIOLET-INDUCED MUTATIONS. Biochimica Et Biophysica Acta. 75: 269-71. PMID 14083909 |
0.38 |
|
| 1961 |
PULLMAN A, PULLMAN B. The band structure of melanins. Biochimica Et Biophysica Acta. 54: 384-5. PMID 14489199 DOI: 10.1016/0006-3002(61)90389-4 |
0.455 |
|
| 1961 |
PULLMAN A, PULLMAN B. The cis-trans isomerization of conjugated polyenes and the occurrence of a hindered cis-isomer of retinene in the rhodopsin system. Proceedings of the National Academy of Sciences of the United States of America. 47: 7-14. PMID 13738465 DOI: 10.1073/Pnas.47.1.7 |
0.448 |
|
| 1960 |
Pullman B, Pullman A. Some electronic aspects of biochemistry Reviews of Modern Physics. 32: 428-436. DOI: 10.1103/Revmodphys.32.428 |
0.482 |
|
| 1959 |
Pullman A, Pullman B. ELEMENTS OF A GENERAL THEORY OF ENZYMATIC HYDROLYSIS. Proceedings of the National Academy of Sciences of the United States of America. 45: 1572-82. PMID 16590546 DOI: 10.1073/Pnas.45.11.1572 |
0.452 |
|
| 1959 |
Pullman B, Pullman A. THE ELECTRONIC STRUCTURE OF THE RESPIRATORY COENZYMES. Proceedings of the National Academy of Sciences of the United States of America. 45: 136-44. PMID 16590361 DOI: 10.1073/Pnas.45.2.136 |
0.488 |
|
| 1959 |
PULLMAN B, PULLMAN A. The oxido-reductive properties of organic dyes of biological importance. Biochimica Et Biophysica Acta. 35: 535-7. PMID 14435304 |
0.414 |
|
| 1959 |
PULLMAN B, PULLMAN A. The electronic structure of the purine-pyrimidine pairs of DNA. Biochimica Et Biophysica Acta. 36: 343-50. PMID 14435303 DOI: 10.1016/0006-3002(59)90176-3 |
0.541 |
|
| 1958 |
Pullman B, Pullman A. ELECTRON-DONOR AND -ACCEPTOR PROPERTIES OF BIOLOGICALLY IMPORTANT PURINES, PYRIMIDINES, PTERIDINES, FLAVINS, AND AROMATIC AMINO ACIDS. Proceedings of the National Academy of Sciences of the United States of America. 44: 1197-202. PMID 16590332 DOI: 10.1073/Pnas.44.12.1197 |
0.515 |
|
| 1955 |
PULLMAN A, PULLMAN B. Electronic structure and carcinogenic activity of aromatic molecules; new developments. Advances in Cancer Research. 3: 117-69. PMID 13248740 |
0.454 |
|
| 1950 |
PULLMAN A, BERTHIER G, PULLMAN B. [Energetic characteristics of carcinogenic hydrocarbons]. Acta - Unio Internationalis Contra Cancrum. 7: 140-8. PMID 14789598 |
0.419 |
|
| 1949 |
Pullman A, Pullman B. Caractères principaux de la structure électronique de divers systèmes organiques conjugués Journal De Chimie Physique. 46: 212-234. DOI: 10.1051/Jcp/1949460212 |
0.465 |
|
| 1945 |
DAUDEL R, PULLMAN A. [Not available]. Comptes Rendus Hebdomadaires Des SéAnces De L'AcadéMie Des Sciences. 221: 201. PMID 21016815 |
0.493 |
|
| 1945 |
DAUDEL R, PULLMAN A. [Not available]. Comptes Rendus Hebdomadaires Des SéAnces De L'AcadéMie Des Sciences. 220: 888. PMID 21015068 |
0.493 |
|
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