-
1
-
-
0018264671
-
Association of thymidylate kinase activity with pyrimidine deoxyribonucleoside kinase induced by herpes simplex virus
-
Chen, M.S., Prusoff, W.H. Association of thymidylate kinase activity with pyrimidine deoxyribonucleoside kinase induced by herpes simplex virus. J. Biol. Chem. 253:1325-1327, 1978.
-
(1978)
J. Biol. Chem.
, vol.253
, pp. 1325-1327
-
-
Chen, M.S.1
Prusoff, W.H.2
-
2
-
-
0028079324
-
Herpes thymidine kinase mutants with altered catalytic efficiencies obtained by random sequence selection
-
Munir, K.M., French, D.C., Dube, D.K., Loeb, L.A. Herpes thymidine kinase mutants with altered catalytic efficiencies obtained by random sequence selection. Prot. Eng. 7:83-89, 1994.
-
(1994)
Prot. Eng.
, vol.7
, pp. 83-89
-
-
Munir, K.M.1
French, D.C.2
Dube, D.K.3
Loeb, L.A.4
-
3
-
-
0020262167
-
9-[2-Hydroxy-1-(hydroxymethy1)-ethoxy]methylguanine: Aselective inhibitor of herpes group virus replication
-
Field, A.K., Davies, M.E., DeWitt, C., Perry, H.C., Liou, R, Germershausen, J., Karkas, J.D., Ashton, W.T., Johnston, D.B.S., Tolman, R.L. 9-[2-Hydroxy-1-(hydroxymethy1)-ethoxy]methylguanine: Aselective inhibitor of herpes group virus replication. Proc. Natl. Acad. Sci. USA 80:4139-4143, 1983; Fyfe, J.A., Keller, P.M., Furman, P.A., Miller, R.L., Elion, G.B. Thymidine kinase from herpes simplex virus phosphorylates the new antiviral compound, 9-(2-hydroxy-methyl)guanine. J. Biol. Chem. 235:8721-8727, 1978; Keller, P.M., Fyfe, J.A., Beauchamp, L., Lubbers, C.M., Furman, P.A., Schaeffer, H.J., Elion, G.B. Enzymatic phosphorylation of acyclic nucleoside analogs and correlations with antiherpetic activities. Biochem. Pharmacol. 30:3071-3077, 1981; Balzarini, J., Bohman, C., De Clerq, E. Differential mechanism of cytostatic effect of (E)-5-(2-Bromovinyl)-2́-deoxyuridine, 9-(1,3-Dihydroxy-2-propoxymethyl)guanine and other antiherpetic drugs on tumor cells transfected by the thymidine kinase gene of herpes simplex virus type 1 or type 2. J. Biol. Chem. 268:6332-6337, 1993.
-
(1983)
Proc. Natl. Acad. Sci. USA
, vol.80
, pp. 4139-4143
-
-
Field, A.K.1
Davies, M.E.2
DeWitt, C.3
Perry, H.C.4
Liou, R.5
Germershausen, J.6
Karkas, J.D.7
Ashton, W.T.8
Johnston, D.B.S.9
Tolman, R.L.10
-
4
-
-
0018251481
-
Thymidine kinase from herpes simplex virus phosphorylates the new antiviral compound, 9-(2-hydroxy-methyl)guanine
-
Field, A.K., Davies, M.E., DeWitt, C., Perry, H.C., Liou, R, Germershausen, J., Karkas, J.D., Ashton, W.T., Johnston, D.B.S., Tolman, R.L. 9-[2-Hydroxy-1-(hydroxymethy1)-ethoxy]methylguanine: Aselective inhibitor of herpes group virus replication. Proc. Natl. Acad. Sci. USA 80:4139-4143, 1983; Fyfe, J.A., Keller, P.M., Furman, P.A., Miller, R.L., Elion, G.B. Thymidine kinase from herpes simplex virus phosphorylates the new antiviral compound, 9-(2-hydroxy-methyl)guanine. J. Biol. Chem. 235:8721-8727, 1978; Keller, P.M., Fyfe, J.A., Beauchamp, L., Lubbers, C.M., Furman, P.A., Schaeffer, H.J., Elion, G.B. Enzymatic phosphorylation of acyclic nucleoside analogs and correlations with antiherpetic activities. Biochem. Pharmacol. 30:3071-3077, 1981; Balzarini, J., Bohman, C., De Clerq, E. Differential mechanism of cytostatic effect of (E)-5-(2-Bromovinyl)-2́-deoxyuridine, 9-(1,3-Dihydroxy-2-propoxymethyl)guanine and other antiherpetic drugs on tumor cells transfected by the thymidine kinase gene of herpes simplex virus type 1 or type 2. J. Biol. Chem. 268:6332-6337, 1993.
-
(1978)
J. Biol. Chem.
, vol.235
, pp. 8721-8727
-
-
Fyfe, J.A.1
Keller, P.M.2
Furman, P.A.3
Miller, R.L.4
Elion, G.B.5
-
5
-
-
0019818628
-
Enzymatic phosphorylation of acyclic nucleoside analogs and correlations with antiherpetic activities
-
Field, A.K., Davies, M.E., DeWitt, C., Perry, H.C., Liou, R, Germershausen, J., Karkas, J.D., Ashton, W.T., Johnston, D.B.S., Tolman, R.L. 9-[2-Hydroxy-1-(hydroxymethy1)-ethoxy]methylguanine: Aselective inhibitor of herpes group virus replication. Proc. Natl. Acad. Sci. USA 80:4139-4143, 1983; Fyfe, J.A., Keller, P.M., Furman, P.A., Miller, R.L., Elion, G.B. Thymidine kinase from herpes simplex virus phosphorylates the new antiviral compound, 9-(2-hydroxy-methyl)guanine. J. Biol. Chem. 235:8721-8727, 1978; Keller, P.M., Fyfe, J.A., Beauchamp, L., Lubbers, C.M., Furman, P.A., Schaeffer, H.J., Elion, G.B. Enzymatic phosphorylation of acyclic nucleoside analogs and correlations with antiherpetic activities. Biochem. Pharmacol. 30:3071-3077, 1981; Balzarini, J., Bohman, C., De Clerq, E. Differential mechanism of cytostatic effect of (E)-5-(2-Bromovinyl)-2́-deoxyuridine, 9-(1,3-Dihydroxy-2-propoxymethyl)guanine and other antiherpetic drugs on tumor cells transfected by the thymidine kinase gene of herpes simplex virus type 1 or type 2. J. Biol. Chem. 268:6332-6337, 1993.
-
(1981)
Biochem. Pharmacol.
, vol.30
, pp. 3071-3077
-
-
Keller, P.M.1
Fyfe, J.A.2
Beauchamp, L.3
Lubbers, C.M.4
Furman, P.A.5
Schaeffer, H.J.6
Elion, G.B.7
-
6
-
-
0027480081
-
Differential mechanism of cytostatic effect of (E)-5-(2-Bromovinyl)-2́-deoxyuridine, 9-(1,3-Dihydroxy-2-propoxymethyl)guanine and other antiherpetic drugs on tumor cells transfected by the thymidine kinase gene of herpes simplex virus type 1 or type 2
-
Field, A.K., Davies, M.E., DeWitt, C., Perry, H.C., Liou, R, Germershausen, J., Karkas, J.D., Ashton, W.T., Johnston, D.B.S., Tolman, R.L. 9-[2-Hydroxy-1-(hydroxymethy1)-ethoxy]methylguanine: Aselective inhibitor of herpes group virus replication. Proc. Natl. Acad. Sci. USA 80:4139-4143, 1983; Fyfe, J.A., Keller, P.M., Furman, P.A., Miller, R.L., Elion, G.B. Thymidine kinase from herpes simplex virus phosphorylates the new antiviral compound, 9-(2-hydroxy-methyl)guanine. J. Biol. Chem. 235:8721-8727, 1978; Keller, P.M., Fyfe, J.A., Beauchamp, L., Lubbers, C.M., Furman, P.A., Schaeffer, H.J., Elion, G.B. Enzymatic phosphorylation of acyclic nucleoside analogs and correlations with antiherpetic activities. Biochem. Pharmacol. 30:3071-3077, 1981; Balzarini, J., Bohman, C., De Clerq, E. Differential mechanism of cytostatic effect of (E)-5-(2-Bromovinyl)-2́-deoxyuridine, 9-(1,3-Dihydroxy-2-propoxymethyl)guanine and other antiherpetic drugs on tumor cells transfected by the thymidine kinase gene of herpes simplex virus type 1 or type 2. J. Biol. Chem. 268:6332-6337, 1993.
-
(1993)
J. Biol. Chem.
, vol.268
, pp. 6332-6337
-
-
Balzarini, J.1
Bohman, C.2
De Clerq, E.3
-
7
-
-
0025950195
-
Antiviral activity against VSV and HSV type 1 and type 2 of the (+) and (-) enantiomers of (R,S)-9-[4-hydroxy-2-(hydroxy-methyl)butyl]guanine, in comparison to other closely related acyclic nucleosides
-
Abele, G., Cox, S., Bergman, S., Lindborg, B., Vissgarden, A., Karlstrom, A., Harmenberg, J., Wahren, B. Antiviral activity against VSV and HSV type 1 and type 2 of the (+) and (-) enantiomers of (R,S)-9-[4-hydroxy-2-(hydroxy-methyl)butyl]guanine, in comparison to other closely related acyclic nucleosides. Antiviral Chem. Chemother. 2: 163-169, 1991.
-
(1991)
Antiviral Chem. Chemother.
, vol.2
, pp. 163-169
-
-
Abele, G.1
Cox, S.2
Bergman, S.3
Lindborg, B.4
Vissgarden, A.5
Karlstrom, A.6
Harmenberg, J.7
Wahren, B.8
-
8
-
-
0017639148
-
Selectivity of action of an antiherpetic agent, 9-(2-hydroxyethoxymethyl)-guanine
-
Elion, G.B., Furman, P.A., Fyfe, J.A., De Miranda, P., Beauchamp, C., Schaeffer, H.J. Selectivity of action of an antiherpetic agent, 9-(2-hydroxyethoxymethyl)-guanine. Proc. Natl. Acad. Sci. USA 74:5716-5720, 1977.
-
(1977)
Proc. Natl. Acad. Sci. USA
, vol.74
, pp. 5716-5720
-
-
Elion, G.B.1
Furman, P.A.2
Fyfe, J.A.3
De Miranda, P.4
Beauchamp, C.5
Schaeffer, H.J.6
-
9
-
-
0017811137
-
9-(2-Hydroxyethoxymethyl)-guanine activity against viruses of the herpes group
-
Schaeffer, H.J., Beauchamp, C., De Miranda, P., Elion, G.B., Bauer, D.I., Collins, P. 9-(2-Hydroxyethoxymethyl)-guanine activity against viruses of the herpes group. Nature 272:583-585, 1978.
-
(1978)
Nature
, vol.272
, pp. 583-585
-
-
Schaeffer, H.J.1
Beauchamp, C.2
De Miranda, P.3
Elion, G.B.4
Bauer, D.I.5
Collins, P.6
-
10
-
-
0026772206
-
In vivo transfer with retroviral vector producer cells for treatment of experimental brain tumors
-
Culver, K.W., Ram, Z., Wallbridge, S., Ishii, H., Oldfield, E.H., Blaese, R.M. In vivo transfer with retroviral vector producer cells for treatment of experimental brain tumors. Science 256:1550-1552, 1992.
-
(1992)
Science
, vol.256
, pp. 1550-1552
-
-
Culver, K.W.1
Ram, Z.2
Wallbridge, S.3
Ishii, H.4
Oldfield, E.H.5
Blaese, R.M.6
-
11
-
-
0028202066
-
Gene therapy for brain tumors: Regression of experimental gliomas by adenovirus-mediated gene transfer in vivo
-
Chen, S.H., Shine, H.D., Goodman, J.C., Grossmann, R.G., Woo, S.L.C. Gene therapy for brain tumors: Regression of experimental gliomas by adenovirus-mediated gene transfer in vivo. Proc. Natl. Acad. Sci. USA 91:3054-3057, 1994.
-
(1994)
Proc. Natl. Acad. Sci. USA
, vol.91
, pp. 3054-3057
-
-
Chen, S.H.1
Shine, H.D.2
Goodman, J.C.3
Grossmann, R.G.4
Woo, S.L.C.5
-
12
-
-
0028907668
-
Adenovirus-mediated gene therapy for human head and neck squamous cell cancer in a nude mouse model
-
O'Malley Jr., B.W., Chen, S.-H., Schwartz, M.K., Woo, S.L.C. Adenovirus-mediated gene therapy for human head and neck squamous cell cancer in a nude mouse model. Cancer Res. 55:1080-1085, 1995.
-
(1995)
Cancer Res.
, vol.55
, pp. 1080-1085
-
-
O'Malley Jr., B.W.1
Chen, S.-H.2
Schwartz, M.K.3
Woo, S.L.C.4
-
13
-
-
0028931228
-
Comparison of genetically engineered herpes simplex viruses for the treatment of brain tumors in a scid mouse model of human malignant glioma
-
Chambers, R., Gillespie, G.Y., Soroceanu, L., et al. Comparison of genetically engineered herpes simplex viruses for the treatment of brain tumors in a scid mouse model of human malignant glioma. Proc. Natl. Acad. Sci. USA 92:1411-1415, 1995.
-
(1995)
Proc. Natl. Acad. Sci. USA
, vol.92
, pp. 1411-1415
-
-
Chambers, R.1
Gillespie, G.Y.2
Soroceanu, L.3
-
14
-
-
0026445469
-
Gene therapy of malignant brain tumors: A rat glioma line bearing the herpes simplex virus type 1-thymidine kinase gene and wild type retrovirus kills other tumor cells
-
Takamiya, Y., Short, M.P., Ezzeddine, Z.D., Moolten, F.L., Breakefield, X.O., Martuza, R.L. Gene therapy of malignant brain tumors: A rat glioma line bearing the herpes simplex virus type 1-thymidine kinase gene and wild type retrovirus kills other tumor cells. J. Neurosci. Res. 33:493-503, 1992.
-
(1992)
J. Neurosci. Res.
, vol.33
, pp. 493-503
-
-
Takamiya, Y.1
Short, M.P.2
Ezzeddine, Z.D.3
Moolten, F.L.4
Breakefield, X.O.5
Martuza, R.L.6
-
15
-
-
0027255414
-
Use of tissue-specific expression of the herpes simplex virus thymidine kinase gene to inhibit growth of established murine melanomas following direct intratumoral injection of DNA
-
Vile, R.G., Hart, I.R. Use of tissue-specific expression of the herpes simplex virus thymidine kinase gene to inhibit growth of established murine melanomas following direct intratumoral injection of DNA. Cancer Res. 53:3860-3864, 1993.
-
(1993)
Cancer Res.
, vol.53
, pp. 3860-3864
-
-
Vile, R.G.1
Hart, I.R.2
-
16
-
-
0027291236
-
Regression of established macroscopic liver metastases after in situ transduction of a suicide gene
-
Caruso, M., Panis, Y., Gagandeep, S., Houssin, D., Salzmann, J.-L., Klatzmann, D. Regression of established macroscopic liver metastases after in situ transduction of a suicide gene. Proc. Natl. Acad. Sci. USA 90:7024-7028, 1993.
-
(1993)
Proc. Natl. Acad. Sci. USA
, vol.90
, pp. 7024-7028
-
-
Caruso, M.1
Panis, Y.2
Gagandeep, S.3
Houssin, D.4
Salzmann, J.-L.5
Klatzmann, D.6
-
17
-
-
0029020644
-
The three-dimensional structure of thymidine kinase of herpes simplex type 1
-
Wild, K., Bohner, T., Aubry, A., Folkers, G., Schulz, G.E. The three-dimensional structure of thymidine kinase of herpes simplex type 1. FEBS Lett. 368:289-292, 1995.
-
(1995)
FEBS Lett.
, vol.368
, pp. 289-292
-
-
Wild, K.1
Bohner, T.2
Aubry, A.3
Folkers, G.4
Schulz, G.E.5
-
18
-
-
0030829025
-
The structures of thymidine kinase from herpes simplex virus type 1 in complex with substrates and substrate analogue
-
Wild, C., Bohner, T., Folkers, G., Schulz, G.E. The structures of thymidine kinase from herpes simplex virus type 1 in complex with substrates and substrate analogue. Protein Sci. 6:2097-2106, 1997.
-
(1997)
Protein Sci.
, vol.6
, pp. 2097-2106
-
-
Wild, C.1
Bohner, T.2
Folkers, G.3
Schulz, G.E.4
-
20
-
-
33748590514
-
Platinum-modified nucleobase pairs in the solid state: A theoretical study
-
(a) Carloni P., Andreoni, W. Platinum-modified nucleobase pairs in the solid state: A theoretical study. J. Phys. Chem. 100:17797-17800, 1996;
-
(1996)
J. Phys. Chem.
, vol.100
, pp. 17797-17800
-
-
Carloni, P.1
Andreoni, W.2
-
21
-
-
0000136590
-
Electronic structure of the Cu, Zn superoxide dismutase active site and its interactions with the substrate
-
(b) Carloni, P. Blöchl, P., Parrinello, M. Electronic structure of the Cu, Zn superoxide dismutase active site and its interactions with the substrate. J. Phys. Chem. 99:1338-1348, 1995;
-
(1995)
J. Phys. Chem.
, vol.99
, pp. 1338-1348
-
-
Carloni, P.1
Blöchl, P.2
Parrinello, M.3
-
22
-
-
0029845690
-
Non-empirical calculations on a hydrated RNA duplex
-
(c) Hütter, J., Carloni, P., Parrinello, M. Non-empirical calculations on a hydrated RNA duplex. J. Am. Chem. Soc. 118:8710-8712, 1996;
-
(1996)
J. Am. Chem. Soc.
, vol.118
, pp. 8710-8712
-
-
Hütter, J.1
Carloni, P.2
Parrinello, M.3
-
23
-
-
0029941911
-
The hard-soft acid-base principle in enzymatic catalysis: Dual reactivity of phosphoenolpyruvate
-
(d) Li, Yan, Evens, Jeremy N.S. The hard-soft acid-base principle in enzymatic catalysis: Dual reactivity of phosphoenolpyruvate. Proc. Natl. Acad. Sci. USA 93: 4612-4616, 1996;
-
(1996)
Proc. Natl. Acad. Sci. USA
, vol.93
, pp. 4612-4616
-
-
Li, Y.1
Evens, J.N.S.2
-
24
-
-
0031566396
-
A density functional study of iron-porphyrin complexes
-
(e) Rovira, C., Ballone, P., Parrinello, M. A density functional study of iron-porphyrin complexes. Chem. Phys. Lett. 271:247-250, 1997.
-
(1997)
Chem. Phys. Lett.
, vol.271
, pp. 247-250
-
-
Rovira, C.1
Ballone, P.2
Parrinello, M.3
-
25
-
-
0029125949
-
Crystal structures of the thymidine kinase from herpes simplex virus type-1 in complex with deoxythymidine and ganciclovir
-
Brown, D.G., Visse, R., Sandhu, G., et al. Crystal structures of the thymidine kinase from herpes simplex virus type-1 in complex with deoxythymidine and ganciclovir. Nat. Struct. Biol. 2:876-881, 1995.
-
(1995)
Nat. Struct. Biol.
, vol.2
, pp. 876-881
-
-
Brown, D.G.1
Visse, R.2
Sandhu, G.3
-
26
-
-
0017411710
-
The protein data bank: A computer-based archival file for macromolecular structures
-
Bernstein, F.C., Koetzle, T.F., Williams, G.J.B., et al. The protein data bank: A computer-based archival file for macromolecular structures. J. Mol. Biol. 112:535-542, 1977.
-
(1977)
J. Mol. Biol.
, vol.112
, pp. 535-542
-
-
Bernstein, F.C.1
Koetzle, T.F.2
Williams, G.J.B.3
-
27
-
-
0023547080
-
Sequence and structural homologies of the substrate binding site of cellular and viral thymidine kinases to rabbit muscle adenylate kinase
-
Folkers G., Trumpp, S. Sequence and structural homologies of the substrate binding site of cellular and viral thymidine kinases to rabbit muscle adenylate kinase. Med. Sci. Res. 15:1495-1496, 1987.
-
(1987)
Med. Sci. Res.
, vol.15
, pp. 1495-1496
-
-
Folkers, G.1
Trumpp, S.2
-
29
-
-
0021491550
-
On the mechanism of action of superoxide dismutase: A theoretical study
-
Osman, O., Bash, H. On the mechanism of action of superoxide dismutase: A theoretical study. J. Am. Chem. Soc. 106:5710-5714, 1984.
-
(1984)
J. Am. Chem. Soc.
, vol.106
, pp. 5710-5714
-
-
Osman, O.1
Bash, H.2
-
30
-
-
0029016182
-
Classical electrostatics in biology and Chemistry
-
Hönig, B., Nicholls, A. Classical electrostatics in biology and Chemistry. Science 268:1144-1149, 1995.
-
(1995)
Science
, vol.268
, pp. 1144-1149
-
-
Hönig, B.1
Nicholls, A.2
-
31
-
-
84988087911
-
Calculating the electrostatic potential of molecules in solution: Method and error assessment
-
Gilson, M., Sharp, K. Hönig, B. Calculating the electrostatic potential of molecules in solution: method and error assessment. J. Comput. Chem. 9:327-335, 1988.
-
(1988)
J. Comput. Chem.
, vol.9
, pp. 327-335
-
-
Gilson, M.1
Sharp, K.2
Hönig, B.3
-
32
-
-
0010639902
-
-
Laboratory of Physical Chemistry, ETH Zentrum, CH-8092 Zurich, Switzerland
-
van Gunsteren, W.F., Berendsen, H.J.C., BIOMOS b.v., Biomolecular Software, Laboratory of Physical Chemistry, ETH Zentrum, CH-8092 Zurich, Switzerland.
-
BIOMOS B.v., Biomolecular Software
-
-
Van Gunsteren, W.F.1
Berendsen, H.J.C.2
-
35
-
-
4243606192
-
Unified approach for molecular dynamics and density-functional theory
-
Car, R., Parrinello, M. Unified approach for molecular dynamics and density-functional theory. Phys. Rev. Lett. 55:2471-2474, 1985.
-
(1985)
Phys. Rev. Lett.
, vol.55
, pp. 2471-2474
-
-
Car, R.1
Parrinello, M.2
-
36
-
-
4243553426
-
Density-functional exchange-energy approximation with correct asymptotic behavior
-
Becke, A. Density-functional exchange-energy approximation with correct asymptotic behavior. Phys. Rev. A38:3098-3100, 1988.
-
(1988)
Phys. Rev.
, vol.A38
, pp. 3098-3100
-
-
Becke, A.1
-
37
-
-
0345491105
-
Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density
-
Lee, C., Yang, W., Parr, R.G. Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density. Phys. Rev. B 37:785-789, 1988.
-
(1988)
Phys. Rev. B
, vol.37
, pp. 785-789
-
-
Lee, C.1
Yang, W.2
Parr, R.G.3
-
38
-
-
33645426115
-
Efficient pseudopotentials for plane-wave calculations
-
Troullier, N., Martins, J.L. Efficient pseudopotentials for plane-wave calculations. Phys. Rev. B 43:1993-2006, 1991.
-
(1991)
Phys. Rev. B
, vol.43
, pp. 1993-2006
-
-
Troullier, N.1
Martins, J.L.2
-
39
-
-
84986524957
-
Convergence acceleration of iterative sequences. The case of SCF iteration
-
Pulay, P. Convergence acceleration of iterative sequences. The case of SCF iteration. Chem. Phys. Lett. 73:393-398, 1980.
-
(1980)
Chem. Phys. Lett.
, vol.73
, pp. 393-398
-
-
Pulay, P.1
-
40
-
-
0028392759
-
Electronic structure optimization in plane-wave-based density functional calculations by direct inversion in the iterative subspace
-
Hütter, J., Lüthi, H.P., Parrinello, M. Electronic structure optimization in plane-wave-based density functional calculations by direct inversion in the iterative subspace. Comput. Mater. Sci. 2:244-248, 1994.
-
(1994)
Comput. Mater. Sci.
, vol.2
, pp. 244-248
-
-
Hütter, J.1
Lüthi, H.P.2
Parrinello, M.3
-
42
-
-
0001418525
-
Ab initio molecular dynamics: Principles and practical implementation
-
"Computer Simulation in Material Science." Meyer, M., Pontikis, V. (eds.). Dodrecht: Kluwer
-
For a review of this method see, e.g., Galli, G., Parrinello, M. Ab initio molecular dynamics: Principles and practical implementation. In: "Computer Simulation in Material Science." Meyer, M., Pontikis, V. (eds.). NATO ASI Series E, Vol. 205, Dodrecht: Kluwer, 1991:283-304.
-
(1991)
NATO ASI Series E
, vol.205
, pp. 283-304
-
-
Galli, G.1
Parrinello, M.2
-
43
-
-
34547809547
-
A unified formulation of the constant temperature molecular dynamics method
-
Nosé, S. A unified formulation of the constant temperature molecular dynamics method. J. Chem. Phys. 81:511-519, 1984.
-
(1984)
J. Chem. Phys.
, vol.81
, pp. 511-519
-
-
Nosé, S.1
-
44
-
-
37549004997
-
Can (semi) local density functional theory account for the London dispersion forces?
-
Kristyán, S., Pulay, P. Can (semi) local density functional theory account for the London dispersion forces? Chem. Phys. Lett. 229:175-180, 1994; Pérez-Jordán, J., Becke, A. A density functional study of van der Waals forces: Rare gas diatomics. Chem. Phys. Lett. 233:134-137, 1995.
-
(1994)
Chem. Phys. Lett.
, vol.229
, pp. 175-180
-
-
Kristyán, S.1
Pulay, P.2
-
45
-
-
4243476736
-
A density functional study of van der Waals forces: Rare gas diatomics
-
Kristyán, S., Pulay, P. Can (semi) local density functional theory account for the London dispersion forces? Chem. Phys. Lett. 229:175-180, 1994; Pérez-Jordán, J., Becke, A. A density functional study of van der Waals forces: Rare gas diatomics. Chem. Phys. Lett. 233:134-137, 1995.
-
(1995)
Chem. Phys. Lett.
, vol.233
, pp. 134-137
-
-
Pérez-Jordán, J.1
Becke, A.2
-
46
-
-
0029799206
-
Quantum mechanical study of aqueous polarization effects on biological macromolecules
-
and references therein
-
York, D.M., Lee, T.S., Yang, W. Quantum mechanical study of aqueous polarization effects on biological macromolecules. J. Am. Chem. Soc. 118:10940-10941, 1996, and references therein.
-
(1996)
J. Am. Chem. Soc.
, vol.118
, pp. 10940-10941
-
-
York, D.M.1
Lee, T.S.2
Yang, W.3
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