-
1
-
-
0029976422
-
Complex of HIV-1 reverse transcriptase with inhibitors of the HEPT series reveal conformational changes relevant to the design of potent
-
Hopkins, A.L., Ren, J.S., Esnouf, R.M., Willcox, B.E., Jones, E.Y., Ross, C., Miyasaka, T., Walker, R.T., Tanaka, H., Stammers, D.K. and Stuart, D.I. (1996) "Complex of HIV-1 reverse transcriptase with inhibitors of the HEPT series reveal conformational changes relevant to the design of potent", J. Med. Chem. 39, 1589-1600.
-
(1996)
J. Med. Chem.
, vol.39
, pp. 1589-1600
-
-
Hopkins, A.L.1
Ren, J.S.2
Esnouf, R.M.3
Willcox, B.E.4
Jones, E.Y.5
Ross, C.6
Miyasaka, T.7
Walker, R.T.8
Tanaka, H.9
Stammers, D.K.10
Stuart, D.I.11
-
2
-
-
0034811498
-
Use of MM-PBSA in reproducing the binding free energies to HIV-1 RT of TIBO derivatives and predicting the binding mode to HIV-1 RT of efavirenz by docking and MM-PBSA
-
Wang, J.M., Morin, P., Wang, W. and Kollman, P.A. (2001) "Use of MM-PBSA in reproducing the binding free energies to HIV-1 RT of TIBO derivatives and predicting the binding mode to HIV-1 RT of efavirenz by docking and MM-PBSA", J. Am. Chem. Soc. 123, 5221-5230.
-
(2001)
J. Am. Chem. Soc.
, vol.123
, pp. 5221-5230
-
-
Wang, J.M.1
Morin, P.2
Wang, W.3
Kollman, P.A.4
-
3
-
-
0001707601
-
3′-Azido-3′-deoxythymidine (BW A509U): An antiviral agent that inhibits the infectivity and cytopathic effects of human T-lymphotrophic virus type III/lymphadenopathy-associated virus in vitro
-
Mitsuya, H., Weinhold, K.J., Furman, P.A., St. Clair, M.H., Nusinoff, L.S., Gallo, R.C., Bolognesi, D., Barry, D.W. and Broder, S. (1985) "3′-Azido-3′-deoxythymidine (BW A509U): an antiviral agent that inhibits the infectivity and cytopathic effects of human T-lymphotrophic virus type III/lymphadenopathy-associated virus in vitro", Proc. Natl Acad. Sci. USA 82, 7096-7100.
-
(1985)
Proc. Natl Acad. Sci. USA
, vol.82
, pp. 7096-7100
-
-
Mitsuya, H.1
Weinhold, K.J.2
Furman, P.A.3
St. Clair, M.H.4
Nusinoff, L.S.5
Gallo, R.C.6
Bolognesi, D.7
Barry, D.W.8
Broder, S.9
-
4
-
-
0001587762
-
Inhibition of in vitro infectivity and cytopathic effect of human T-lymphotrophic virus type III/lympadenopathy-associated virus (HTLV-III/LVA) by 2′,3′-dideoxynucleosides
-
Mitsuya, H. and Broder, S. (1986) "Inhibition of in vitro infectivity and cytopathic effect of human T-lymphotrophic virus type III/lympadenopathy-associated virus (HTLV-III/LVA) by 2′,3′- dideoxynucleosides", Proc. Natl Acad. Sci. USA 83, 1911-1915.
-
(1986)
Proc. Natl Acad. Sci. USA
, vol.83
, pp. 1911-1915
-
-
Mitsuya, H.1
Broder, S.2
-
5
-
-
0024349612
-
In vivo activity against HIV and favourable toxicity profile of 2′,3′-dideoxyinosine
-
Yarchoan, R., Mitsuya, H., Thomas, R.V., Pluda, J.M., Hartman, N.R., Perno, C.F., Marczyk, K.S., Allain, J.P., Johns, D.G. and Broder, S. (1989) "In vivo activity against HIV and favourable toxicity profile of 2′,3′-dideoxyinosine", Science 245, 412-415.
-
(1989)
Science
, vol.245
, pp. 412-415
-
-
Yarchoan, R.1
Mitsuya, H.2
Thomas, R.V.3
Pluda, J.M.4
Hartman, N.R.5
Perno, C.F.6
Marczyk, K.S.7
Allain, J.P.8
Johns, D.G.9
Broder, S.10
-
6
-
-
0026541703
-
The separated enantiomers of 2′-deoxy-3′-thiacytidine (BCH-189) both inhibit human immunodeficiency virus replication in vitro
-
Coates, J.A.V., Cammack, N., Jenkinson, H.J., Mutton, I.M., Pearson, B.A., Storer, R., Cameron, J.M. and Penn, C.R. (1992) "The separated enantiomers of 2′-deoxy-3′-thiacytidine (BCH-189) both inhibit human immunodeficiency virus replication in vitro", Antimicrob. Agents Chemother. 36, 202-205.
-
(1992)
Antimicrob. Agents Chemother.
, vol.36
, pp. 202-205
-
-
Coates, J.A.V.1
Cammack, N.2
Jenkinson, H.J.3
Mutton, I.M.4
Pearson, B.A.5
Storer, R.6
Cameron, J.M.7
Penn, C.R.8
-
7
-
-
0027447133
-
HIV-1 specific RT inhibitors: Highly selective inhibitors of human immunodeficiency virus type 1 that are specifically targeted at the viral reverse transcriptase
-
De Clercq, E. (1993) "HIV-1 specific RT inhibitors: highly selective inhibitors of human immunodeficiency virus type 1 that are specifically targeted at the viral reverse transcriptase", Med. Res. Rev. 13, 229-258.
-
(1993)
Med. Res. Rev.
, vol.13
, pp. 229-258
-
-
De Clercq, E.1
-
8
-
-
0031449527
-
A 3D QSAR study of a series of HEPT analogues: The influence of conformational mobility on HIV-1 reverse tanscriptase inhibition
-
Kireev, D.B., Chretien, J.R., Grierson, D.S. and Monneret, C. (1997) "A 3D QSAR study of a series of HEPT analogues: the influence of conformational mobility on HIV-1 reverse tanscriptase inhibition", J. Med. Chem. 40, 4257-4264.
-
(1997)
J. Med. Chem.
, vol.40
, pp. 4257-4264
-
-
Kireev, D.B.1
Chretien, J.R.2
Grierson, D.S.3
Monneret, C.4
-
9
-
-
0033545623
-
Prediction of the binding free energies of new TIBO-like HIV-1 reverse transcriptase inhibitors using a combination of PROFEC, PB/SA, CMC/MD, and free energy calculations
-
Eriksson, M.A.L., Pitera, J. and Kollman, P.A. (1999) "Prediction of the binding free energies of new TIBO-like HIV-1 reverse transcriptase inhibitors using a combination of PROFEC, PB/SA, CMC/MD, and free energy calculations", J. Med. Chem. 42, 868-881.
-
(1999)
J. Med. Chem.
, vol.42
, pp. 868-881
-
-
Eriksson, M.A.L.1
Pitera, J.2
Kollman, P.A.3
-
10
-
-
0035263420
-
QSAR modeling with the electrotopological state: TIBO derivatives
-
Huuskonen, J. (2001) "QSAR modeling with the electrotopological state: TIBO derivatives", J. Chem. Inf. Comput. Sci. 41, 425-429.
-
(2001)
J. Chem. Inf. Comput. Sci.
, vol.41
, pp. 425-429
-
-
Huuskonen, J.1
-
11
-
-
0033628605
-
Use of artificial neural networks in a QSAR study of anti-HIV activity for a large group of HEPT derivatives
-
HeravI, M.J. and Parastar, F. (2000) "Use of artificial neural networks in a QSAR study of anti-HIV activity for a large group of HEPT derivatives", J. Chem. Inf. Comput. Sci. 40, 147-154.
-
(2000)
J. Chem. Inf. Comput. Sci.
, vol.40
, pp. 147-154
-
-
HeravI, M.J.1
Parastar, F.2
-
12
-
-
0035821586
-
Identification of a putative binding site for [2′,5′-bis-o- (tert-butyldimethylsilyl)-α-D-ribofuranosyl]-3′-spiro-5″- (4″-amino-1″,2″-oxathiole-2″,2″-dioxide) thymine(TSAO) derivaties at the p51-p66 interface of HIV-1 reverse transcriptase
-
Barrios, F.R., Perez, C., Lobaton, E., Velazquez, S., Chamorro, C., Felix, A.S., Perez, P.M.J., Camarasa, M.J., Pelemans, H., Balzarini, J. and Gago, F. (2001) "Identification of a putative binding site for [2′,5′-bis-o-(tert-butyldimethylsilyl)-α-D-ribofuranosyl] -3′-spiro-5″-(4″-amino-1″,2″-oxathiole-2″, 2″-dioxide)thymine(TSAO) derivaties at the p51-p66 interface of HIV-1 reverse transcriptase", J. Med. Chem. 44, 1853-1865.
-
(2001)
J. Med. Chem.
, vol.44
, pp. 1853-1865
-
-
Barrios, F.R.1
Perez, C.2
Lobaton, E.3
Velazquez, S.4
Chamorro, C.5
Felix, A.S.6
Perez, P.M.J.7
Camarasa, M.J.8
Pelemans, H.9
Balzarini, J.10
Gago, F.11
-
13
-
-
0035905853
-
Estimation of binding affinities for HEPT and nevirapine analogues with HIV-1 reverse transcriptase via Monte Carlo simulations
-
Rizzo, R., Rives, J.T. and Jorgenson, W.L. (2001) "Estimation of binding affinities for HEPT and nevirapine analogues with HIV-1 reverse transcriptase via Monte Carlo simulations", J. Med. Chem. 44, 45-154.
-
(2001)
J. Med. Chem.
, vol.44
, pp. 45-154
-
-
Rizzo, R.1
Rives, J.T.2
Jorgenson, W.L.3
-
14
-
-
0037019283
-
Prediction of activity for nonnucleoside inhibitors with HIV-1 reverse transcriptase based on Monte Carlo simulations
-
Rizzo, R.C., Blagovic, M.U., Wang, D.P., Watkins, E.K., Smith, M.B.K., Smith, R.H., Rives, J.T. and Jorgensen, W.L. (2002) "Prediction of activity for nonnucleoside inhibitors with HIV-1 reverse transcriptase based on Monte Carlo simulations", J. Med. Chem. 45, 2970-2987.
-
(2002)
J. Med. Chem.
, vol.45
, pp. 2970-2987
-
-
Rizzo, R.C.1
Blagovic, M.U.2
Wang, D.P.3
Watkins, E.K.4
Smith, M.B.K.5
Smith, R.H.6
Rives, J.T.7
Jorgensen, W.L.8
-
15
-
-
0011127153
-
-
The scripps research Institute, Molecular Graphics Laboratory, Department of Molecular Biology
-
Morris, G.M., Goodsell, D.S., Heuey, R., Hart, W.E., Halliday, S., Belew, R. and Olson, A.J. (1999) Autodock version 3.03. The scripps research Institute, Molecular Graphics Laboratory, Department of Molecular Biology.
-
(1999)
Autodock Version 3.03
-
-
Morris, G.M.1
Goodsell, D.S.2
Heuey, R.3
Hart, W.E.4
Halliday, S.5
Belew, R.6
Olson, A.J.7
-
16
-
-
11644261806
-
Automated docking using Lamarckian genetic algorithm and empirical binding free energy function
-
Morris, G.M., Goodsell, D.S., Halliday, R.S., Heuey, R., Hart, W.E., Belew, R.K. and Olson, A.J. (1998) "Automated docking using Lamarckian genetic algorithm and empirical binding free energy function", J. Comput. Chem. 19, 1639-1662.
-
(1998)
J. Comput. Chem.
, vol.19
, pp. 1639-1662
-
-
Morris, G.M.1
Goodsell, D.S.2
Halliday, R.S.3
Heuey, R.4
Hart, W.E.5
Belew, R.K.6
Olson, A.J.7
-
17
-
-
0037125501
-
Studing enzyme binding specificity in acetylcholinesterase using a combined molecular dynamics and multiple docking approach
-
Kua, J., Zhang, Y.K. and McCammon, J.A. (2002) "Studing enzyme binding specificity in acetylcholinesterase using a combined molecular dynamics and multiple docking approach", J. Am. Chem. Soc. 124, 8260-8267.
-
(2002)
J. Am. Chem. Soc.
, vol.124
, pp. 8260-8267
-
-
Kua, J.1
Zhang, Y.K.2
McCammon, J.A.3
-
18
-
-
0028924567
-
Mechanism of inhibition of HIV-1 reverse transcriptase by non-nucleoside inhibitors
-
Esnouf, R., Ren, J.S., Ross, C., Jones, Y., Stammers, D. and Stuart, D. (1995) "Mechanism of inhibition of HIV-1 reverse transcriptase by non-nucleoside inhibitors", Nature Struct. Biol. 2, 303-308.
-
(1995)
Nature Struct. Biol.
, vol.2
, pp. 303-308
-
-
Esnouf, R.1
Ren, J.S.2
Ross, C.3
Jones, Y.4
Stammers, D.5
Stuart, D.6
-
19
-
-
0034333415
-
Structure-based drug design of non-nucleoside inhibitors for wild-type and drug-resistant HIV reverse transcriptase
-
Chen, M., Sudbeck, E.A., Venkatachalam, T.K. and Uckun, F.M. (2000) "Structure-based drug design of non-nucleoside inhibitors for wild-type and drug-resistant HIV reverse transcriptase", Biochem. Pharmacol. 60, 1251-1265.
-
(2000)
Biochem. Pharmacol.
, vol.60
, pp. 1251-1265
-
-
Chen, M.1
Sudbeck, E.A.2
Venkatachalam, T.K.3
Uckun, F.M.4
-
20
-
-
0026071537
-
A new class of HIV-1-specific 6-substituted acyclouridine derivatives: Synthesis and anti-HIV-1 activity of 5- or 6-substituted analogues of 1-[(2-hydroxyethoxy)methyl]-6-(phenylthio)thymine (HEPT)
-
Tanaka, H., Baba, M., Hayakawa, H., Sakamaki, T., Miyasaka, T., Ubasawa, M., Takashima, H., Sekiya, K., Nitta, I., Shigeta, S., Walker, R.T., Balzarini, J. and De Clercq, E. (1991) "A new class of HIV-1-specific 6-substituted acyclouridine derivatives: synthesis and anti-HIV-1 activity of 5-or 6-substituted analogues of 1-[(2-hydroxyethoxy)methyl]-6-(phenylthio)thymine (HEPT)", J. Med. Chem. 34, 349-357.
-
(1991)
J. Med. Chem.
, vol.34
, pp. 349-357
-
-
Tanaka, H.1
Baba, M.2
Hayakawa, H.3
Sakamaki, T.4
Miyasaka, T.5
Ubasawa, M.6
Takashima, H.7
Sekiya, K.8
Nitta, I.9
Shigeta, S.10
Walker, R.T.11
Balzarini, J.12
De Clercq, E.13
-
21
-
-
0024408374
-
A novel lead for specific anti-HIV-1 agents: 1-[(2-hydroxyethoxy)methyl]- 6-(phenylthio)thymine
-
Miyasaka, T., Tanaka, H., Baba, M., Hayakawa, H., Walker, R.T., Balzarini, J. and De Clercq, E. (1989) "A novel lead for specific anti-HIV-1 agents: 1-[(2-hydroxyethoxy)methyl]-6-(phenylthio)thymine", J. Med. Chem. 32, 2507-2509.
-
(1989)
J. Med. Chem.
, vol.32
, pp. 2507-2509
-
-
Miyasaka, T.1
Tanaka, H.2
Baba, M.3
Hayakawa, H.4
Walker, R.T.5
Balzarini, J.6
De Clercq, E.7
-
22
-
-
0024832408
-
Highly specific inhibition of human immunodeficiency virus type 1 by a novel 6-substituted acyclouridine derivative
-
Baba, M., Tanaka, H., De Clercq, E., Pauwels, R., Balzarini, J., Schols, D., Nakashima, H., Perno, C.F., Walker, R.T. and Miyasaka, T. (1989) "Highly specific inhibition of human immunodeficiency virus type 1 by a novel 6-substituted acyclouridine derivative", Biochem. Biophys. Res. Commun. 165, 1375-1381.
-
(1989)
Biochem. Biophys. Res. Commun.
, vol.165
, pp. 1375-1381
-
-
Baba, M.1
Tanaka, H.2
De Clercq, E.3
Pauwels, R.4
Balzarini, J.5
Schols, D.6
Nakashima, H.7
Perno, C.F.8
Walker, R.T.9
Miyasaka, T.10
-
23
-
-
0025734369
-
Synthesis and anti-HIV activity of 2-, 3-, and 4-substituted analogs of 1-[(2-hydroxyethoxy)methyl]-6-(phenylthio)thymine (HEPT)
-
Tanaka, M., Baba, M., Ubasawa, M., Takashima, H., Sekiya, K., Nitta, I., Shigeta, S., Walker, R.T., De Clercq, E. and Miyasaka, T. (1991) "Synthesis and anti-HIV activity of 2-, 3-, and 4-substituted analogs of 1-[(2-hydroxyethoxy)methyl]-6-(phenylthio)thymine (HEPT)", J. Med. Chem. 34, 1394-1399.
-
(1991)
J. Med. Chem.
, vol.34
, pp. 1394-1399
-
-
Tanaka, M.1
Baba, M.2
Ubasawa, M.3
Takashima, H.4
Sekiya, K.5
Nitta, I.6
Shigeta, S.7
Walker, R.T.8
De Clercq, E.9
Miyasaka, T.10
-
24
-
-
0025770237
-
Specific anti-HIV-1 acyclonucleosides which cannot be phosphorylated: Synthesis of some deoxy analogues of 1-[(2-hydroxyethoxy)methyl]-6-(phenylthio) thymine
-
Tanaka, H., Baba, M., Saito, S., Miyasaka, T., Takashima, H., Sekiya, K., Ubasawa, M., Nitta, I., Walker, R.T., Nakashima, H. and De Clercq, E. (1991) "Specific anti-HIV-1 acyclonucleosides which cannot be phosphorylated: synthesis of some deoxy analogues of 1-[(2-hydroxyethoxy)methyl]-6-(phenylthio) thymine", J. Med. Chem. 34, 1508-1511.
-
(1991)
J. Med. Chem.
, vol.34
, pp. 1508-1511
-
-
Tanaka, H.1
Baba, M.2
Saito, S.3
Miyasaka, T.4
Takashima, H.5
Sekiya, K.6
Ubasawa, M.7
Nitta, I.8
Walker, R.T.9
Nakashima, H.10
De Clercq, E.11
-
25
-
-
0026318212
-
Lithiation of uracil nucleosides and its application to the synthesis of a new class of anti-HIV-1 acyclonucleosides
-
Tanaka, H., Baba, M., Hayakawa, H., Haraguchi, K., Miyasaka, T., Ubasawa, M., Takashima, H., Sekiya, K., Nitta, I., Walker, R.T. and De Clercq, E. (1991) "Lithiation of uracil nucleosides and its application to the synthesis of a new class of anti-HIV-1 acyclonucleosides", Nucleosides Nucleotides 10, 397-400.
-
(1991)
Nucleosides Nucleotides
, vol.10
, pp. 397-400
-
-
Tanaka, H.1
Baba, M.2
Hayakawa, H.3
Haraguchi, K.4
Miyasaka, T.5
Ubasawa, M.6
Takashima, H.7
Sekiya, K.8
Nitta, I.9
Walker, R.T.10
De Clercq, E.11
-
26
-
-
0028029961
-
New tetrahydroimidazo[4,5,1-jk][1,4]-benzodiazepin-2(1H)-one and -thione derivatives are potent inhibitors of human immunodeficiency virus type 1 replication and are synergistic with 2′,3′-dideoxynucleoside analogs
-
Pauwels, R., Andries, K., Debyser, Z., Kukla, M.J., Schols, D., Breslin, H.J., Woestenborghs, R., Desmyter, J., Janssen, M.A.C., De Clercq, E. and Janssen, P.A. (1994) "New tetrahydroimidazo[4,5,1-jk][1,4]-benzodiazepin- 2(1H)-one and -thione derivatives are potent inhibitors of human immunodeficiency virus type 1 replication and are synergistic with 2′,3′-dideoxynucleoside analogs", J. Antimicrob. Agents Chemother. 38, 2863-2870.
-
(1994)
J. Antimicrob. Agents Chemother.
, vol.38
, pp. 2863-2870
-
-
Pauwels, R.1
Andries, K.2
Debyser, Z.3
Kukla, M.J.4
Schols, D.5
Breslin, H.J.6
Woestenborghs, R.7
Desmyter, J.8
Janssen, M.A.C.9
De Clercq, E.10
Janssen, P.A.11
-
27
-
-
84988115618
-
The Tripos force field
-
Clark, M., Cramer, R.D. III and Van, O.N. (1989) "The Tripos force field", J. Comput. Chem. 10, 982-1012.
-
(1989)
J. Comput. Chem.
, vol.10
, pp. 982-1012
-
-
Clark, M.1
Cramer III, R.D.2
Van, O.N.3
-
28
-
-
0021757436
-
A new force field for molecular mechanical simulation of nucleic acids and proteins
-
Weiner, S.J., Kollman, P.A., Case, D.A., Singh, U.C., Ghio, C., Alagona, G., Profeta, S.J. and Weiner, P. (1984) "A new force field for molecular mechanical simulation of nucleic acids and proteins", J. Am. Chem. Soc. 106, 765-784.
-
(1984)
J. Am. Chem. Soc.
, vol.106
, pp. 765-784
-
-
Weiner, S.J.1
Kollman, P.A.2
Case, D.A.3
Singh, U.C.4
Ghio, C.5
Alagona, G.6
Profeta, S.J.7
Weiner, P.8
-
29
-
-
11644261806
-
Automated docking using a Lamarckian genetic algorithm and empirical binding free energy function
-
Morris, G.M., Goodsell, D.S., Halliday, R.S., Huey, R., Hart, W.E., Belew, R.K. and Olson, A.J. (1998) "Automated docking using a Lamarckian genetic algorithm and empirical binding free energy function", J. Comput. Chem. 19, 1639-1662.
-
(1998)
J. Comput. Chem.
, vol.19
, pp. 1639-1662
-
-
Morris, G.M.1
Goodsell, D.S.2
Halliday, R.S.3
Huey, R.4
Hart, W.E.5
Belew, R.K.6
Olson, A.J.7
-
30
-
-
0030203710
-
Distributed automated docking of flexible ligands to proteins: Parallel applications of AutoDock 2.4
-
Morris, G.M., Goodsell, D.S., Huey, R. and Olson, A.J. (1996) "Distributed automated docking of flexible ligands to proteins: parallel applications of AutoDock 2.4", J. Comput.-Aided Mol. Des. 10, 293-304.
-
(1996)
J. Comput.-Aided Mol. Des.
, vol.10
, pp. 293-304
-
-
Morris, G.M.1
Goodsell, D.S.2
Huey, R.3
Olson, A.J.4
-
31
-
-
0029655006
-
2-guided region selection for comparative molecular field analysis (CoMFA): A simple method to achieve consistent results
-
2-guided region selection for comparative molecular field analysis (CoMFA): a simple method to achieve consistent results", J. Med. Chem. 38, 1060-1066.
-
(2001)
J. Med. Chem.
, vol.38
, pp. 1060-1066
-
-
Cho, S.J.1
Tropsha, A.2
-
32
-
-
0042529319
-
-
Version 6.8, St. Louis (MO): Tripos Associates Inc.
-
SYBYL [Computer Program] (2001) Version 6.8, St. Louis (MO): Tripos Associates Inc.
-
(2001)
SYBYL [Computer Program]
-
-
-
33
-
-
0027209171
-
The probability of chance correlation using partial least squares (PLS)
-
Clark, M. and Cramer, R.D. III (1993) "The probability of chance correlation using partial least squares (PLS)", Quant. Struct. Act. Relat. 12, 137-145.
-
(1993)
Quant. Struct. Act. Relat.
, vol.12
, pp. 137-145
-
-
Clark, M.1
Cramer III, R.D.2
-
34
-
-
0027944195
-
Molecular similarity indices in a Comparative Analysis (CoMSIA) of drug molecules to correlate and predict their biological activity
-
Klebe, G., Abraham, U. and Mietzner, T. (1994) "Molecular similarity indices in a Comparative Analysis (CoMSIA) of drug molecules to correlate and predict their biological activity", J. Med. Chem. 37, 4130-4146.
-
(1994)
J. Med. Chem.
, vol.37
, pp. 4130-4146
-
-
Klebe, G.1
Abraham, U.2
Mietzner, T.3
-
35
-
-
0037920567
-
3D QSAR analyses using CoMFA and CoMSIA to elucidate selectivity differences of inhibitors binding to trypsin, thrombin and factor Xa
-
Böhm, M., Stürzebecher, J. and Klebe, G. (1999) "3D QSAR analyses using CoMFA and CoMSIA to elucidate selectivity differences of inhibitors binding to trypsin, thrombin and factor Xa", J. Med. Chem. 42, 458-477.
-
(1999)
J. Med. Chem.
, vol.42
, pp. 458-477
-
-
Böhm, M.1
Stürzebecher, J.2
Klebe, G.3
-
37
-
-
0033524008
-
Design of MKC-442 (emivirine) analogues with improved activity against drug-resistant HIV mutants
-
Hopkins, A.L., Ren, J.S., Tanaka, H., Baba, M., Okamato, M., Stuart, D.I. and Stammers, K. (1999) "Design of MKC-442 (emivirine) analogues with improved activity against drug-resistant HIV mutants", J. Med. Chem. 42, 4500-4505.
-
(1999)
J. Med. Chem.
, vol.42
, pp. 4500-4505
-
-
Hopkins, A.L.1
Ren, J.S.2
Tanaka, H.3
Baba, M.4
Okamato, M.5
Stuart, D.I.6
Stammers, K.7
-
38
-
-
0346207528
-
Comparative quantitative structure-activity relationship studies on anti-HIV drugs
-
Garg, R., Gupta, S.P., Gao, H., Babu, M.S., Debnath, A.K. and Hansch, C. (1999) "Comparative quantitative structure-activity relationship studies on anti-HIV drugs", Chem. Rev. 99, 3525-3602.
-
(1999)
Chem. Rev.
, vol.99
, pp. 3525-3602
-
-
Garg, R.1
Gupta, S.P.2
Gao, H.3
Babu, M.S.4
Debnath, A.K.5
Hansch, C.6
-
39
-
-
0034722975
-
Validation of a model for the complex of HIV-1 reverse transcriptase with sustiva through computation of resistance profiles
-
Rizzo, R.C., Wang, D.P., Tirado, R.J. and Jorgensen, W.L. (2000) "Validation of a model for the complex of HIV-1 reverse transcriptase with sustiva through computation of resistance profiles", J. Am. Chem. Soc. 122, 12898-12900.
-
(2000)
J. Am. Chem. Soc.
, vol.122
, pp. 12898-12900
-
-
Rizzo, R.C.1
Wang, D.P.2
Tirado, R.J.3
Jorgensen, W.L.4
|