메뉴 건너뛰기




Volumn 56, Issue 3, 2004, Pages 301-319

The computational prediction of pharmaceutical crystal structures and polymorphism

Author keywords

Computational prediction; Crystal structure prediction; Force fields; Lattice energy; Polymorphism

Indexed keywords

COMPUTATIONAL METHODS; CRYSTAL STRUCTURE; X RAY ANALYSIS;

EID: 1042287179     PISSN: 0169409X     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.addr.2003.10.006     Document Type: Article
Times cited : (217)

References (76)
  • 2
    • 0001410276 scopus 로고
    • Are crystal structures predictable?
    • Gavezzotti A. Are crystal structures predictable? Acc. Chem. Res. 27:1994;309-314.
    • (1994) Acc. Chem. Res. , vol.27 , pp. 309-314
    • Gavezzotti, A.1
  • 3
    • 0037423978 scopus 로고    scopus 로고
    • Are crystal structures predictable?
    • J.D. Dunitz, Are crystal structures predictable? Chem. Commun. (2003) 545-548.
    • (2003) Chem. Commun. , pp. 545-548
    • Dunitz, J.D.1
  • 4
    • 0036564979 scopus 로고    scopus 로고
    • Structure and intermolecular potentials in molecular crystals
    • Gavezzotti A. Structure and intermolecular potentials in molecular crystals. Model. Simul. Mater. Sci. Eng. 10:2002;R1-R29.
    • (2002) Model. Simul. Mater. Sci. Eng. , vol.10
    • Gavezzotti, A.1
  • 7
    • 0011252853 scopus 로고    scopus 로고
    • Which organic crystal structures are predictable by lattice energy minimisation?
    • Beyer T., Lewis T., Price S.L. Which organic crystal structures are predictable by lattice energy minimisation? CrystEngComm. 3:2001;178-212.
    • (2001) CrystEngComm. , vol.3 , pp. 178-212
    • Beyer, T.1    Lewis, T.2    Price, S.L.3
  • 8
    • 0032500332 scopus 로고    scopus 로고
    • Three polymorphs of 2-amino-5-nitropyrimidine: Experimental structures and theoretical predictions
    • Aakeroy C.B., Nieuwenhuyzen M., Price S.L. Three polymorphs of 2-amino-5-nitropyrimidine: experimental structures and theoretical predictions. J. Am. Chem. Soc. 120:1998;8986-8993.
    • (1998) J. Am. Chem. Soc. , vol.120 , pp. 8986-8993
    • Aakeroy, C.B.1    Nieuwenhuyzen, M.2    Price, S.L.3
  • 9
    • 84890543243 scopus 로고    scopus 로고
    • The errors in lattice energy minimisation studies: Sensitivity to experimental variations in the molecular structure of paracetamol
    • Beyer T., Price S.L. The errors in lattice energy minimisation studies: sensitivity to experimental variations in the molecular structure of paracetamol. CrystEngComm. 2:2000;183-190.
    • (2000) CrystEngComm. , vol.2 , pp. 183-190
    • Beyer, T.1    Price, S.L.2
  • 10
    • 0034817174 scopus 로고    scopus 로고
    • The prediction, morphology, and mechanical properties of the polymorphs of paracetamol
    • Beyer T., Day G.M., Price S.L. The prediction, morphology, and mechanical properties of the polymorphs of paracetamol. J. Am. Chem. Soc. 123:2001;5086-5094.
    • (2001) J. Am. Chem. Soc. , vol.123 , pp. 5086-5094
    • Beyer, T.1    Day, G.M.2    Price, S.L.3
  • 11
    • 85030895143 scopus 로고    scopus 로고
    • Accelrys Inc., Cerius2 Modelling Environment, Accelrys Inc., San Diego, 1999.
    • Accelrys Inc., Cerius2 Modelling Environment, Accelrys Inc., San Diego, 1999.
  • 12
    • 0032343232 scopus 로고    scopus 로고
    • Computer simulation to predict possible crystal polymorphs
    • K.B. Lipkowitz, Boyd D.B. New York: Wiley-VCH
    • Verwer P., Leusen F.J.J. Computer simulation to predict possible crystal polymorphs. Lipkowitz K.B., Boyd D.B. Reviews in Computational Chemistry. vol. 12:1998;327-365 Wiley-VCH, New York.
    • (1998) Reviews in Computational Chemistry , vol.12 , pp. 327-365
    • Verwer, P.1    Leusen, F.J.J.2
  • 13
    • 0034639976 scopus 로고    scopus 로고
    • Ab initio crystal structure predictions for flexible hydrogen-bonded molecules
    • Mooij W.T.M., van Eijck B.P., Kroon J. Ab initio crystal structure predictions for flexible hydrogen-bonded molecules. J. Am. Chem. Soc. 122:2000;3500-3505.
    • (2000) J. Am. Chem. Soc. , vol.122 , pp. 3500-3505
    • Mooij, W.T.M.1    Van Eijck, B.P.2    Kroon, J.3
  • 15
    • 0031646406 scopus 로고    scopus 로고
    • Revised anisotropic site potentials for the water dimer and calculated properties
    • Millot C., Soetens J.C., Costa M., Hodges M.P., Stone A.J. Revised anisotropic site potentials for the water dimer and calculated properties. J. Phys. Chem. A. 102:1998;754-770.
    • (1998) J. Phys. Chem. a , vol.102 , pp. 754-770
    • Millot, C.1    Soetens, J.C.2    Costa, M.3    Hodges, M.P.4    Stone, A.J.5
  • 17
    • 0034407187 scopus 로고    scopus 로고
    • Toward more accurate model intermolecular potentials for organic molecules
    • K.B. Lipkopwitz, Boyd D.B.
    • Price S.L. Toward more accurate model intermolecular potentials for organic molecules. Lipkopwitz K.B., Boyd D.B. Reviews in Computational Chemistry. vol. 14:2000;225-289.
    • (2000) Reviews in Computational Chemistry , vol.14 , pp. 225-289
    • Price, S.L.1
  • 18
    • 84947640036 scopus 로고
    • Distributed multipole analysis - Methods and applications
    • Stone A.J., Alderton M. Distributed multipole analysis - methods and applications. Mol. Phys. 56:1985;1047-1064.
    • (1985) Mol. Phys. , vol.56 , pp. 1047-1064
    • Stone, A.J.1    Alderton, M.2
  • 19
    • 33751131640 scopus 로고
    • Electrostatic predictions of shapes and properties of van der Waals molecules
    • Buckingham A.D., Fowler P.W., Stone A.J. Electrostatic predictions of shapes and properties of van der Waals molecules. Int. Rev. Phys. Chem. 5:1986;107-114.
    • (1986) Int. Rev. Phys. Chem. , vol.5 , pp. 107-114
    • Buckingham, A.D.1    Fowler, P.W.2    Stone, A.J.3
  • 22
    • 0036890275 scopus 로고    scopus 로고
    • Consistent treatment of inter- and intramolecular polarization in molecular mechanics calculations
    • Ren P.Y., Ponder J.W. Consistent treatment of inter- and intramolecular polarization in molecular mechanics calculations. J. Comput. Chem. 23:2002;1497-1506.
    • (2002) J. Comput. Chem. , vol.23 , pp. 1497-1506
    • Ren, P.Y.1    Ponder, J.W.2
  • 23
    • 0033543139 scopus 로고    scopus 로고
    • Improved intermolecular force field for crystalline hydrocarbons containing four- or three-coordinated carbon
    • Williams D.E. Improved intermolecular force field for crystalline hydrocarbons containing four- or three-coordinated carbon. J. Mol. Struct. 486:1999;321-347.
    • (1999) J. Mol. Struct. , vol.486 , pp. 321-347
    • Williams, D.E.1
  • 24
    • 0013413289 scopus 로고    scopus 로고
    • Improved intermolecular force field for crystalline oxohydrocarbons including O-HO hydrogen bonding
    • Williams D.E. Improved intermolecular force field for crystalline oxohydrocarbons including O-HO hydrogen bonding. J. Comput. Chem. 22:2001;1-20.
    • (2001) J. Comput. Chem. , vol.22 , pp. 1-20
    • Williams, D.E.1
  • 25
    • 0035425572 scopus 로고    scopus 로고
    • Improved intermolecular force field for molecules containing H, C, N, and O atoms, with application to nucleoside and peptide crystals
    • Williams D.E. Improved intermolecular force field for molecules containing H, C, N, and O atoms, with application to nucleoside and peptide crystals. J. Comput. Chem. 22:2001;1154-1166.
    • (2001) J. Comput. Chem. , vol.22 , pp. 1154-1166
    • Williams, D.E.1
  • 27
    • 84943900650 scopus 로고
    • Empirical intermolecular potentials for organic-crystals - The 6-Exp approximation revisited
    • Filippini G., Gavezzotti A. Empirical intermolecular potentials for organic-crystals - the 6-Exp approximation revisited. Acta Crystallogr. B. 49:1993;868-880.
    • (1993) Acta Crystallogr. B , vol.49 , pp. 868-880
    • Filippini, G.1    Gavezzotti, A.2
  • 28
    • 0006248511 scopus 로고
    • Geometry of the intermolecular X-HY (X, Y=N, O) hydrogen-bond and the calibration of empirical hydrogen-bond potentials
    • Gavezzotti A., Filippini G. Geometry of the intermolecular X-HY (X, Y=N, O) hydrogen-bond and the calibration of empirical hydrogen-bond potentials. J. Phys. Chem. 98:1994;4831-4837.
    • (1994) J. Phys. Chem. , vol.98 , pp. 4831-4837
    • Gavezzotti, A.1    Filippini, G.2
  • 29
    • 0001600861 scopus 로고    scopus 로고
    • A non-empirical intermolecular potential for oxalic acid crystal structures
    • Nobeli I., Price S.L. A non-empirical intermolecular potential for oxalic acid crystal structures. J. Phys. Chem. A. 103:1999;6448.
    • (1999) J. Phys. Chem. a , vol.103 , pp. 6448
    • Nobeli, I.1    Price, S.L.2
  • 30
    • 0037461640 scopus 로고    scopus 로고
    • Global optimisation-based method for deriving intermolecular potential parameters for crystals
    • Arnautova Y.A., Pillardy J., Czaplewski C., Scheraga H.A. Global optimisation-based method for deriving intermolecular potential parameters for crystals. J. Phys. Chem. B. 107:2003;712-723.
    • (2003) J. Phys. Chem. B , vol.107 , pp. 712-723
    • Arnautova, Y.A.1    Pillardy, J.2    Czaplewski, C.3    Scheraga, H.A.4
  • 31
    • 0035170488 scopus 로고    scopus 로고
    • Multipoles versus charges in the 1999 crystal structure prediction test
    • Mooij W.T.M., Leusen F.J.J. Multipoles versus charges in the 1999 crystal structure prediction test. Phys. Chem. Chem. Phys. 3:2001;5063-5066.
    • (2001) Phys. Chem. Chem. Phys. , vol.3 , pp. 5063-5066
    • Mooij, W.T.M.1    Leusen, F.J.J.2
  • 32
    • 0033518325 scopus 로고    scopus 로고
    • Transferable ab initio intermolecular potentials. 2. Validation and application to crystal structure prediction
    • Mooij W.T.M., van Eijck B.P., Kroon J. Transferable ab initio intermolecular potentials. 2. Validation and application to crystal structure prediction. J. Phys. Chem. A. 103:1999;9883-9890.
    • (1999) J. Phys. Chem. a , vol.103 , pp. 9883-9890
    • Mooij, W.T.M.1    Van Eijck, B.P.2    Kroon, J.3
  • 34
    • 0035370370 scopus 로고    scopus 로고
    • Ab initio crystal structure predictions for flexible hydrogen-bonded molecules. Part II. Accurate energy minimisation
    • van Eijck B.P., Mooij W.T.M., Kroon J. Ab initio crystal structure predictions for flexible hydrogen-bonded molecules. Part II. Accurate energy minimisation. J. Comput. Chem. 22:2001;805-815.
    • (2001) J. Comput. Chem. , vol.22 , pp. 805-815
    • Van Eijck, B.P.1    Mooij, W.T.M.2    Kroon, J.3
  • 36
    • 79955037244 scopus 로고    scopus 로고
    • Ten years of experience in polymorph prediction: What next?
    • Gavezzotti A. Ten years of experience in polymorph prediction: what next? CrystEngComm. 4:2002;343-347.
    • (2002) CrystEngComm. , vol.4 , pp. 343-347
    • Gavezzotti, A.1
  • 37
    • 0037435166 scopus 로고    scopus 로고
    • Calculation of intermolecular interaction energies by direct numerical integration over electron densities. 2. An improved polarization model and the evaluation of dispersion and repulsion energies
    • Gavezzotti A. Calculation of intermolecular interaction energies by direct numerical integration over electron densities. 2. An improved polarization model and the evaluation of dispersion and repulsion energies. J. Phys. Chem. B. 107:2003;2344-2353.
    • (2003) J. Phys. Chem. B , vol.107 , pp. 2344-2353
    • Gavezzotti, A.1
  • 38
    • 0001752768 scopus 로고    scopus 로고
    • The Cambridge Structural Database: A quarter of a million crystal structures and rising
    • Allen F.H. The Cambridge Structural Database: a quarter of a million crystal structures and rising. Acta Crystallogr. B. 58:2002;380-388.
    • (2002) Acta Crystallogr. B , vol.58 , pp. 380-388
    • Allen, F.H.1
  • 39
    • 0000072771 scopus 로고    scopus 로고
    • Frequency of Z′ values in organic and organometallic crystal structures
    • Steiner T. Frequency of Z′ values in organic and organometallic crystal structures. Acta Crystallogr. B. 56:2000;673-676.
    • (2000) Acta Crystallogr. B , vol.56 , pp. 673-676
    • Steiner, T.1
  • 40
    • 0036496085 scopus 로고    scopus 로고
    • Crystal structure predictions using five space groups with two independent molecules. The case of small organic acids
    • Van Eijck B.P. Crystal structure predictions using five space groups with two independent molecules. The case of small organic acids. J. Comput. Chem. 23:2002;456-462.
    • (2002) J. Comput. Chem. , vol.23 , pp. 456-462
    • Van Eijck, B.P.1
  • 41
    • 0000698294 scopus 로고    scopus 로고
    • Structure predictions allowing more than one molecule in the asymmetric unit
    • van Eijck B.P., Kroon J. Structure predictions allowing more than one molecule in the asymmetric unit. Acta Crystallogr. B. 56:2000;535-542.
    • (2000) Acta Crystallogr. B , vol.56 , pp. 535-542
    • Van Eijck, B.P.1    Kroon, J.2
  • 42
    • 0037265598 scopus 로고    scopus 로고
    • Crystal structure prediction of diastereomeric salts: A step toward rationalization of racemate resolution
    • Leusen F.J.J. Crystal structure prediction of diastereomeric salts: a step toward rationalization of racemate resolution. Cryst. Growth Des. 3:2003;189-192.
    • (2003) Cryst. Growth Des. , vol.3 , pp. 189-192
    • Leusen, F.J.J.1
  • 43
    • 0001688439 scopus 로고    scopus 로고
    • Ab initio molecular packing analysis
    • Williams D.E. Ab initio molecular packing analysis. Acta Crystallogr. A. 52:1996;326-328.
    • (1996) Acta Crystallogr. a , vol.52 , pp. 326-328
    • Williams, D.E.1
  • 44
    • 0001351137 scopus 로고    scopus 로고
    • UPACK program package for crystal structure prediction: Force fields and crystal structure generation for small carbohydrate molecules
    • van Eijck B.P., Kroon J. UPACK program package for crystal structure prediction: force fields and crystal structure generation for small carbohydrate molecules. J. Comput. Chem. 20:1999;799-812.
    • (1999) J. Comput. Chem. , vol.20 , pp. 799-812
    • Van Eijck, B.P.1    Kroon, J.2
  • 46
    • 0542377811 scopus 로고
    • Generation of possible crystal-structures from the molecular-structure for low-polarity organic-compounds
    • Gavezzotti A. Generation of possible crystal-structures from the molecular-structure for low-polarity organic-compounds. J. Am. Chem. Soc. 113:1991;4622-4629.
    • (1991) J. Am. Chem. Soc. , vol.113 , pp. 4622-4629
    • Gavezzotti, A.1
  • 47
    • 84912123059 scopus 로고
    • Prediction of possible crystal-structures for C-, H-, N-, O- and F-containing organic-compounds
    • Holden J.R., Du Z.Y., Ammon H.L. Prediction of possible crystal-structures for C-, H-, N-, O- and F-containing organic-compounds. J. Comput. Chem. 14:1993;422-437.
    • (1993) J. Comput. Chem. , vol.14 , pp. 422-437
    • Holden, J.R.1    Du, Z.Y.2    Ammon, H.L.3
  • 48
    • 0007867373 scopus 로고    scopus 로고
    • Energy minimisation as a tool for crystal structure determination of industrial pigments
    • D. Braga, F. Grepioni, Orpen A.G. Dordrecht: Kluwer Academic Publishers
    • Schmidt M.U. Energy minimisation as a tool for crystal structure determination of industrial pigments. Braga D., Grepioni F., Orpen A.G. Crystal Engineering: From Molecules and Crystals to Materials. vol. 538:1999;331-348 Kluwer Academic Publishers, Dordrecht.
    • (1999) Crystal Engineering: From Molecules and Crystals to Materials , vol.538 , pp. 331-348
    • Schmidt, M.U.1
  • 50
    • 5544220334 scopus 로고    scopus 로고
    • Generation of crystal structures of acetic acid and its halogenated analogs
    • Payne R.S., Roberts R.J., Rowe R.C., Docherty R. Generation of crystal structures of acetic acid and its halogenated analogs. J. Comput. Chem. 19:1998;1-20.
    • (1998) J. Comput. Chem. , vol.19 , pp. 1-20
    • Payne, R.S.1    Roberts, R.J.2    Rowe, R.C.3    Docherty, R.4
  • 52
    • 1042296567 scopus 로고    scopus 로고
    • Disappearing and reappearing polymorphs - An anathema to crystal engineering?
    • Bernstein J., Henck J.O. Disappearing and reappearing polymorphs - an anathema to crystal engineering? Mater. Res. Bull. 33, Suppl. 1:1998;119-128.
    • (1998) Mater. Res. Bull. , vol.331 , pp. 119-128
    • Bernstein, J.1    Henck, J.O.2
  • 56
    • 0347171982 scopus 로고    scopus 로고
    • Theoretical investigations of conformational aspects of polymorphism. Part 1: O-acetamidobenzamide
    • Buttar D., Charlton M.H., Docherty R., Starbuck J. Theoretical investigations of conformational aspects of polymorphism. Part 1: O-acetamidobenzamide. J. Chem. Soc. Perkin Trans. 2:1998;763-772.
    • (1998) J. Chem. Soc. Perkin Trans. , vol.2 , pp. 763-772
    • Buttar, D.1    Charlton, M.H.2    Docherty, R.3    Starbuck, J.4
  • 57
    • 0000943207 scopus 로고
    • Polymorphic forms of organic-crystals at room conditions - Thermodynamic and structural implications
    • Gavezzotti A., Filippini G. Polymorphic forms of organic-crystals at room conditions - thermodynamic and structural implications. J. Am. Chem. Soc. 117:1995;12299-12305.
    • (1995) J. Am. Chem. Soc. , vol.117 , pp. 12299-12305
    • Gavezzotti, A.1    Filippini, G.2
  • 59
    • 0035371101 scopus 로고    scopus 로고
    • Ab initio crystal structure predictions for flexible hydrogen-bonded molecules. Part III. Effect of lattice vibrations
    • van Eijck B.P. Ab initio crystal structure predictions for flexible hydrogen-bonded molecules. Part III. Effect of lattice vibrations. J. Comput. Chem. 22:2001;816-826.
    • (2001) J. Comput. Chem. , vol.22 , pp. 816-826
    • Van Eijck, B.P.1
  • 60
    • 0038285220 scopus 로고    scopus 로고
    • A study of the known and hypothetical crystal structures of pyridine: Why are there four molecules in the asymmetric unit cell?
    • Anghel A.T., Day G.M., Price S.L. A study of the known and hypothetical crystal structures of pyridine: why are there four molecules in the asymmetric unit cell? CrystEngComm. 4:2002;348-355.
    • (2002) CrystEngComm , vol.4 , pp. 348-355
    • Anghel, A.T.1    Day, G.M.2    Price, S.L.3
  • 61
    • 0142132361 scopus 로고    scopus 로고
    • A computational and experimental search for polymorphs of parabanic acid - A salutary tale leading to the crystal structure of oxo-ureido-acetic acid methyl ester
    • T.C. Lewis, D.A. Tocher, G.M. Day, S.L. Price, A computational and experimental search for polymorphs of parabanic acid - a salutary tale leading to the crystal structure of oxo-ureido-acetic acid methyl ester, CrystEngComm 5 (2003) 3-9.
    • (2003) CrystEngComm , vol.5 , pp. 3-9
    • Lewis, T.C.1    Tocher, D.A.2    Day, G.M.3    Price, S.L.4
  • 63
    • 0038144869 scopus 로고    scopus 로고
    • The supramolecular synthon approach to crystal structure prediction
    • Sarma J., Desiraju G.R. The supramolecular synthon approach to crystal structure prediction. Cryst. Growth Des. 2:2002;93-100.
    • (2002) Cryst. Growth Des. , vol.2 , pp. 93-100
    • Sarma, J.1    Desiraju, G.R.2
  • 64
    • 9944253640 scopus 로고    scopus 로고
    • Elastic constant calculations for molecular organic crystals
    • Day G.M., Price S.L., Leslie M. Elastic constant calculations for molecular organic crystals. Cryst. Growth Des. 1:2001;13-26.
    • (2001) Cryst. Growth Des. , vol.1 , pp. 13-26
    • Day, G.M.1    Price, S.L.2    Leslie, M.3
  • 66
    • 0037947871 scopus 로고    scopus 로고
    • Morphologies of organic crystals: Sensitivity of attachment energy predictions to the model intermolecular potential
    • Brunsteiner M., Price S.L. Morphologies of organic crystals: sensitivity of attachment energy predictions to the model intermolecular potential. Cryst. Growth Des. 1:2001;447-453.
    • (2001) Cryst. Growth Des. , vol.1 , pp. 447-453
    • Brunsteiner, M.1    Price, S.L.2
  • 67
    • 0031808764 scopus 로고    scopus 로고
    • Physicochemical characterisation of the orthorhombic polymorph of paracetamol crystallized from solution
    • Nichols G., Frampton C.S. Physicochemical characterisation of the orthorhombic polymorph of paracetamol crystallized from solution. J. Pharm. Sci. 87:1998;684-693.
    • (1998) J. Pharm. Sci. , vol.87 , pp. 684-693
    • Nichols, G.1    Frampton, C.S.2
  • 70
    • 0033006828 scopus 로고    scopus 로고
    • Examples of successful crystal structure prediction: Polymorphs of primidone and progesterone
    • Payne R.S., Roberts R.J., Rowe R.C., Docherty R. Examples of successful crystal structure prediction: polymorphs of primidone and progesterone. Int. J. Pharm. 177:1999;231-245.
    • (1999) Int. J. Pharm. , vol.177 , pp. 231-245
    • Payne, R.S.1    Roberts, R.J.2    Rowe, R.C.3    Docherty, R.4
  • 71
    • 0030230960 scopus 로고    scopus 로고
    • Ab initio prediction of polymorphs
    • Leusen F.J.J. Ab initio prediction of polymorphs. J. Cryst. Growth. 166:1996;900-903.
    • (1996) J. Cryst. Growth , vol.166 , pp. 900-903
    • Leusen, F.J.J.1
  • 73
    • 0037262232 scopus 로고    scopus 로고
    • A whole output strategy for polymorph screening: Combining crystal structure prediction, graph set analysis and targeted crystallisation experiments in the case of diflunisal
    • Cross W.I., Blagden N., Davey R.J., Pritchard R.G., Neumann M.A., Roberts R.J., Rowe R.C. A whole output strategy for polymorph screening: combining crystal structure prediction, graph set analysis and targeted crystallisation experiments in the case of diflunisal. Cryst. Growth Des. 3:2003;151-158.
    • (2003) Cryst. Growth Des. , vol.3 , pp. 151-158
    • Cross, W.I.1    Blagden, N.2    Davey, R.J.3    Pritchard, R.G.4    Neumann, M.A.5    Roberts, R.J.6    Rowe, R.C.7
  • 74
    • 0031100256 scopus 로고    scopus 로고
    • Predictions of crystal packings for uracil, 6-azauracil, and allopurinol: The interplay between hydrogen bonding and close packing
    • Price S.L., Wibley K.S. Predictions of crystal packings for uracil, 6-azauracil, and allopurinol: the interplay between hydrogen bonding and close packing. J. Phys. Chem. A. 101:1997;2198-2206.
    • (1997) J. Phys. Chem. a , vol.101 , pp. 2198-2206
    • Price, S.L.1    Wibley, K.S.2
  • 75
    • 0033543205 scopus 로고    scopus 로고
    • Aza analogues of nucleic acid bases: Experimental determination and computational prediction of the crystal structure of anhydrous 5-azauracil
    • Potter B.S., Palmer R.A., Withnall R., Chowdhry B.Z., Price S.L. Aza analogues of nucleic acid bases: experimental determination and computational prediction of the crystal structure of anhydrous 5-azauracil. J. Mol. Struct. 486:1999;349-361.
    • (1999) J. Mol. Struct. , vol.486 , pp. 349-361
    • Potter, B.S.1    Palmer, R.A.2    Withnall, R.3    Chowdhry, B.Z.4    Price, S.L.5
  • 76
    • 85030904729 scopus 로고    scopus 로고
    • International Association of Physicians in AIDS Care, 225 West Washington St., Suite 2200, Chicago, IL 60606, USA, 1998 iapac@iapac.org
    • E. Sun, Excerpt from news conference, 15.10.98. IAPAC, International Association of Physicians in AIDS Care, 225 West Washington St., Suite 2200, Chicago, IL 60606, USA, 1998 (iapac@iapac.org: http://www.iapac.org , http://www.iapac.org/norvir/abt_sun.html)
    • Excerpt from News Conference, 15.10.98. IAPAC
    • Sun, E.1


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.