-
1
-
-
0029623184
-
Computational methods to predict binding free-energy in ligand-receptor complexes
-
Ajay, Murcko M. A. Computational methods to predict binding free-energy in ligand-receptor complexes. J. Med. Chem. 38:1995;4953-4967.
-
(1995)
J. Med. Chem.
, vol.38
, pp. 4953-4967
-
-
Ajay1
Murcko, M.A.2
-
2
-
-
0041936278
-
The development of version-3 and version-4 of the Cambridge Structural Database system
-
Allen F. H., Davies J. E., Galloy J. J., Johnson O., Kennard O., Macrae C. R., Mitchell E. M., Mitchell G. R., Smith J. M., Watson D. G. The development of version-3 and version-4 of the Cambridge Structural Database system. J. Chem. Info. Comp. Sci. 31:1991;187-204.
-
(1991)
J. Chem. Info. Comp. Sci.
, vol.31
, pp. 187-204
-
-
Allen, F.H.1
Davies, J.E.2
Galloy, J.J.3
Johnson, O.4
Kennard, O.5
MacRae, C.R.6
Mitchell, E.M.7
Mitchell, G.R.8
Smith, J.M.9
Watson, D.G.10
-
3
-
-
0027027467
-
Ludi-rule-based automatic design of new substituents for enzyme- inhibitor leads
-
Bohm H. J. Ludi-rule-based automatic design of new substituents for enzyme- inhibitor leads. J. Comp. Aided Mol. Design. 6:1992;593-606.
-
(1992)
J. Comp. Aided Mol. Design
, vol.6
, pp. 593-606
-
-
Bohm, H.J.1
-
4
-
-
0030204057
-
Towards the automatic design of synthetically accessible protein ligands - peptides, amides and peptidomimetics
-
Bohm H. J. Towards the automatic design of synthetically accessible protein ligands - peptides, amides and peptidomimetics. J. Comp. Aided Mol. Design. 10:1996;265-272.
-
(1996)
J. Comp. Aided Mol. Design
, vol.10
, pp. 265-272
-
-
Bohm, H.J.1
-
5
-
-
0030474049
-
What can we learn from molecular recognition in protein-ligand complexes for the design of new drugs?
-
Bohm H. J., Klebe G. What can we learn from molecular recognition in protein-ligand complexes for the design of new drugs? Ange. Chemie Int. Edit. 35:1996;2589-2614.
-
(1996)
Ange. Chemie Int. Edit.
, vol.35
, pp. 2589-2614
-
-
Bohm, H.J.1
Klebe, G.2
-
6
-
-
0032571380
-
An example of a protein ligand found by database mining: Description of the docking method and its verification by a 2.3Å X-ray structure of a thrombin-ligand complex
-
Burkhard P., Taylor P., Walkinshaw M. D. An example of a protein ligand found by database mining: description of the docking method and its verification by a 2.3Å X-ray structure of a thrombin-ligand complex. J. Mol. Biol. 277:1998;449-466.
-
(1998)
J. Mol. Biol.
, vol.277
, pp. 449-466
-
-
Burkhard, P.1
Taylor, P.2
Walkinshaw, M.D.3
-
7
-
-
0023936327
-
Using shape complementarity as an initial screen in designing ligands for a receptor-binding site of known 3-dimensional structure
-
Desjarlais R. L., Sheridan R. R., Seibel G. L., Dixon J. S., Kuntz I. D., Venkataraghavan R. Using shape complementarity as an initial screen in designing ligands for a receptor-binding site of known 3-dimensional structure. J. Med. Chem. 31:1988;722-729.
-
(1988)
J. Med. Chem.
, vol.31
, pp. 722-729
-
-
Desjarlais, R.L.1
Sheridan, R.R.2
Seibel, G.L.3
Dixon, J.S.4
Kuntz, I.D.5
Venkataraghavan, R.6
-
9
-
-
0021871375
-
A computational-procedure for determining energetically favorable binding-sites on biologically important macromolecules
-
Goodford P. J. A computational-procedure for determining energetically favorable binding-sites on biologically important macromolecules. J. Med. Chem. 28:1985;849-857.
-
(1985)
J. Med. Chem.
, vol.28
, pp. 849-857
-
-
Goodford, P.J.1
-
10
-
-
0026209427
-
An integrated approach to 3-dimensional information management with maccs-3d
-
Guner O. F., Hughes D. W., Dumont L. M. An integrated approach to 3-dimensional information management with maccs-3d. J. Chem. Info. Comp. Sci. 31:1991;408-414.
-
(1991)
J. Chem. Info. Comp. Sci.
, vol.31
, pp. 408-414
-
-
Guner, O.F.1
Hughes, D.W.2
Dumont, L.M.3
-
11
-
-
0030708525
-
Drug design - discovering high-affinity ligands for proteins
-
Hajduk P. J., Meadows R. P., Fesik S. W. Drug design - discovering high-affinity ligands for proteins. Science. 278:1997;497.
-
(1997)
Science
, vol.278
, pp. 497
-
-
Hajduk, P.J.1
Meadows, R.P.2
Fesik, S.W.3
-
12
-
-
0031581852
-
Molecular docking to ensembles of protein structures
-
Knegtel R. M. A., Kuntz I. D., Oshiro C. M. Molecular docking to ensembles of protein structures. J. Mol. Biol. 266:1997;424-440.
-
(1997)
J. Mol. Biol.
, vol.266
, pp. 424-440
-
-
Knegtel, R.M.A.1
Kuntz, I.D.2
Oshiro, C.M.3
-
13
-
-
0026513446
-
Solution structure of fk506 bound to fkbp-12
-
Lepre C. A., Thomson J. A., Moore J. M. Solution structure of fk506 bound to fkbp-12. FEBS Letters. 302:1992;89-96.
-
(1992)
FEBS Letters
, vol.302
, pp. 89-96
-
-
Lepre, C.A.1
Thomson, J.A.2
Moore, J.M.3
-
14
-
-
0026095334
-
NMR-studies of an fk-506 analog, [u-c-13]ascomycin, bound to fkbp - conformation and regions of ascomycin involved in binding
-
Petros A. M., Gampe R. T., Gemmecker G., Neri P., Holzman T. F., Edalji R., Hochlowski J., Jackson M., Mcalpine J., Luly J. R., Pilotmatias T., Pratt S., Fesik S. W. NMR-studies of an fk-506 analog, [u-c-13]ascomycin, bound to fkbp - conformation and regions of ascomycin involved in binding. J. Med. Chem. 34:1991;2925-2928.
-
(1991)
J. Med. Chem.
, vol.34
, pp. 2925-2928
-
-
Petros, A.M.1
Gampe, R.T.2
Gemmecker, G.3
Neri, P.4
Holzman, T.F.5
Edalji, R.6
Hochlowski, J.7
Jackson, M.8
McAlpine, J.9
Luly, J.R.10
Pilotmatias, T.11
Pratt, S.12
Fesik, S.W.13
-
16
-
-
0030050335
-
Cyclophilin-40 (cyp-40), mapping of its hsp90 binding domain and evidence that fkbp52 competes with cyp-40 for hsp90 binding
-
Ratajczak T., Carrello A. Cyclophilin-40 (cyp-40), mapping of its hsp90 binding domain and evidence that fkbp52 competes with cyp-40 for hsp90 binding. J. Biol. Chem. 271:1996;2961-2965.
-
(1996)
J. Biol. Chem.
, vol.271
, pp. 2961-2965
-
-
Ratajczak, T.1
Carrello, A.2
-
17
-
-
0025814761
-
Proton and nitrogen sequential assignments and secondary structure determination of the human fk506 and rapamycin binding-protein
-
Rosen M. K., Michnick S. W., Karplus M., Schreiber S. L. Proton and nitrogen sequential assignments and secondary structure determination of the human fk506 and rapamycin binding-protein. Biochemistry. 30:1991;4774-4789.
-
(1991)
Biochemistry
, vol.30
, pp. 4774-4789
-
-
Rosen, M.K.1
Michnick, S.W.2
Karplus, M.3
Schreiber, S.L.4
-
18
-
-
0030040323
-
Reduced surface - an efficient way to compute molecular-surfaces
-
Sanner M. F., Olson A. J., Spehner J. C. Reduced surface - an efficient way to compute molecular-surfaces. Biopolymers. 38:1996;305-320.
-
(1996)
Biopolymers
, vol.38
, pp. 305-320
-
-
Sanner, M.F.1
Olson, A.J.2
Spehner, J.C.3
-
20
-
-
0001104552
-
The cell-cycle, signal-transduction, and immunophilin ligand complexes
-
Schreiber S. L., Albers M. W., Brown E. J. The cell-cycle, signal-transduction, and immunophilin ligand complexes. Acc. Chem. Res. 26:1993;412-420.
-
(1993)
Acc. Chem. Res.
, vol.26
, pp. 412-420
-
-
Schreiber, S.L.1
Albers, M.W.2
Brown, E.J.3
-
21
-
-
0029836953
-
Discovering high-affinity ligands for proteins - sar by NMR
-
Shuker S. B., Hajduk P. J., Meadows R. P., Fesik S. W. Discovering high-affinity ligands for proteins - sar by NMR. Science. 274:1996;1531-1534.
-
(1996)
Science
, vol.274
, pp. 1531-1534
-
-
Shuker, S.B.1
Hajduk, P.J.2
Meadows, R.P.3
Fesik, S.W.4
-
22
-
-
0032554638
-
Rational design of novel antimicrobials: Blocking purine salvage in a parasitic protozoan
-
Somoza J. R., Skillman A. G., Munagala N. R., Oshiro C. M., Knegtel R. M. A., Mpoke S., Fletterick R. J., Kuntz I. D., Wang C. C. Rational design of novel antimicrobials: blocking purine salvage in a parasitic protozoan. Biochemistry. 37:1998;5344-5348.
-
(1998)
Biochemistry
, vol.37
, pp. 5344-5348
-
-
Somoza, J.R.1
Skillman, A.G.2
Munagala, N.R.3
Oshiro, C.M.4
Knegtel, R.M.A.5
Mpoke, S.6
Fletterick, R.J.7
Kuntz, I.D.8
Wang, C.C.9
-
23
-
-
0027439390
-
Atomic structures of the human immunophilin fkbp-12 complexes with fk506 and rapamycin
-
Vanduyne G. D., Standaert R. F., Karplus P. A., Schreiber S. L., Clardy J. Atomic structures of the human immunophilin fkbp-12 complexes with fk506 and rapamycin. J. Mol. Biol. 229:1993;105-124.
-
(1993)
J. Mol. Biol.
, vol.229
, pp. 105-124
-
-
Vanduyne, G.D.1
Standaert, R.F.2
Karplus, P.A.3
Schreiber, S.L.4
Clardy, J.5
-
24
-
-
0027333880
-
H-1, C-13, and N-15 assignments and secondary structure of the W 06 binding-protein when bound to ascomycin
-
Xu R. X., Nettesheim D., Olejniczak E. T., Meadows R., Gemmecker G., Fesik S. W. H-1, C-13, and N-15 assignments and secondary structure of the W 06 binding-protein when bound to ascomycin. Biopolymers. 33:1993;535-550.
-
(1993)
Biopolymers
, vol.33
, pp. 535-550
-
-
Xu, R.X.1
Nettesheim, D.2
Olejniczak, E.T.3
Meadows, R.4
Gemmecker, G.5
Fesik, S.W.6
|