-
1
-
-
37249004920
-
Reaching for high-hanging fruit in drug discovery at protein-protein interfaces
-
DOI 10.1038/nature06526, PII NATURE06526
-
Wells J., McClendon C. (2007) Reaching for high-hanging fruit in drug discovery at protein-protein interfaces. Nature 450:1001-1009. (Pubitemid 350273630)
-
(2007)
Nature
, vol.450
, Issue.7172
, pp. 1001-1009
-
-
Wells, J.A.1
McClendon, C.L.2
-
2
-
-
33646567148
-
Between a rock and a hard place?
-
DOI 10.1038/nchembio0306-112, PII NCHEMBIO0306112
-
Whitty A., Kumaravel G. (2006) Between a rock and a hard place? Nat Chem Biol 2:112-118. (Pubitemid 44323856)
-
(2006)
Nature Chemical Biology
, vol.2
, Issue.3
, pp. 112-118
-
-
Whitty, A.1
Kumaravel, G.2
-
3
-
-
50249154886
-
Small-molecule inhibitors of protein-protein interactions
-
Berg T. (2008) Small-molecule inhibitors of protein-protein interactions. Curr Opin Drug Discov Devel 11:666-674.
-
(2008)
Curr Opin Drug Discov Devel
, vol.11
, pp. 666-674
-
-
Berg, T.1
-
4
-
-
58849145512
-
Predicting druggable binding sites at the protein-protein interface
-
Fuller J.C., Burgoyne N.J., Jackson R.M. (2009) Predicting druggable binding sites at the protein-protein interface. Drug Disc Today 14:155-161.
-
(2009)
Drug Disc Today
, vol.14
, pp. 155-161
-
-
Fuller, J.C.1
Burgoyne, N.J.2
Jackson, R.M.3
-
5
-
-
0030447531
-
Protein clefts in molecular recognition and function
-
Laskowski R.A., Luscombe N.M., Swindells M.B., Thornton J.M. (1996) Protein clefts in molecular recognition and function. Protein Sci 5:2438-2452. (Pubitemid 26424856)
-
(1996)
Protein Science
, vol.5
, Issue.12
, pp. 2438-2452
-
-
Laskowski, R.A.1
Luscombe, N.M.2
Swindells, M.B.3
Thornton, J.M.4
-
6
-
-
21044444449
-
Pocketome via comprehensive identification and classification of ligand binding envelopes
-
DOI 10.1074/mcp.M400159-MCP200
-
An J., Totrov M., Abagyan R. (2005) Pocketome via comprehensive identification and classification of ligand binding envelopes. Mol Cell Proteomics 4:752-761. (Pubitemid 40873004)
-
(2005)
Molecular and Cellular Proteomics
, vol.4
, Issue.6
, pp. 752-761
-
-
An, J.1
Totrov, M.2
Abagyan, R.3
-
7
-
-
33646757492
-
On the nature of cavities on protein surfaces: Application to the identification of drug-binding sites
-
DOI 10.1002/prot.20897
-
Nayal M., Honig B. (2006) On the nature of cavities on protein surfaces: Application to the identification of drug-binding sites. Proteins 63:892-906. (Pubitemid 43765141)
-
(2006)
Proteins: Structure, Function and Genetics
, vol.63
, Issue.4
, pp. 892-906
-
-
Nayal, M.1
Honig, B.2
-
8
-
-
33746076877
-
Effects of conformational dynamics on predicted protein druggability
-
DOI 10.1002/cmdc.200500013
-
Brown S.P., Hajduk P.J. (2006) Effects of conformational dynamics on predicted protein druggability. ChemMedChem 1:70-72. (Pubitemid 44104979)
-
(2006)
ChemMedChem
, vol.1
, Issue.1
, pp. 70-72
-
-
Brown, S.P.1
Hajduk, P.J.2
-
9
-
-
34547583152
-
Transient pockets on protein surfaces involved in protein-protein interaction
-
DOI 10.1021/jm070095g
-
Eyrisch S., Helms V. (2007) Transient pockets on protein surfaces involved in proteinprotein interaction. J Med Chem 50:3457-3464. (Pubitemid 47195455)
-
(2007)
Journal of Medicinal Chemistry
, vol.50
, Issue.15
, pp. 3457-3464
-
-
Eyrisch, S.1
Helms, V.2
-
10
-
-
0028916599
-
A hot spot of binding energy in a hormone-receptor interface
-
Clackson T., Wells J.A. (1995) A hot spot of binding energy in a hormone-receptor interface. Science 267:383-386.
-
(1995)
Science
, vol.267
, pp. 383-386
-
-
Clackson, T.1
Wells, J.A.2
-
11
-
-
17144373303
-
Druggability indices for protein targets derived from NMr-based screening data
-
DOI 10.1021/jm049131r
-
Hajduk P.J., Huth J.R., Fesik S.W. (2005) Druggability indices for protein targets derived from NMR-based screening data. J Med Chem 48:2518-2525. (Pubitemid 40516441)
-
(2005)
Journal of Medicinal Chemistry
, vol.48
, Issue.7
, pp. 2518-2525
-
-
Hajduk, P.J.1
Huth, J.R.2
Fesik, S.W.3
-
12
-
-
0029868304
-
Locating and characterizing binding sites on proteins
-
Mattos C., Ringe D. (1996) Locating and characterizing binding sites on proteins. Nat Biotechnol 14:595-599. (Pubitemid 26135122)
-
(1996)
Nature Biotechnology
, vol.14
, Issue.5
, pp. 595-599
-
-
Mattos, C.1
Ringe, D.2
-
14
-
-
33947658802
-
Identification of hot spots within druggable binding regions by computational solvent mapping of proteins
-
DOI 10.1021/jm061134b
-
Landon M.R., Lancia D.R., Jr, Yu J., Thiel S.C., Vajda S. (2007) Identification of hot spots within druggable binding sites of proteins by computational solvent mapping. J Med Chem 50:1231-1240. (Pubitemid 46496323)
-
(2007)
Journal of Medicinal Chemistry
, vol.50
, Issue.6
, pp. 1231-1240
-
-
Landon, M.R.1
Lancia Jr., D.R.2
Yu, J.3
Thiel, S.C.4
Vajda, S.5
-
15
-
-
61449104961
-
Fragment-based identification of druggable "hot spots" of proteins using Fourier domain correlation techniques
-
Brenke R., et al. (2009) Fragment-based identification of druggable "hot spots" of proteins using Fourier domain correlation techniques. Bioinformatics 25:621-627.
-
(2009)
Bioinformatics
, vol.25
, pp. 621-627
-
-
Brenke, R.1
-
16
-
-
0021871375
-
A computational procedure for determining energetically favorable binding sites on biologically important macromolecules
-
Goodford P.J. (1985) A computational procedure for determining energetically favorable binding sites on biologically important macromolecules. J Med Chem 28:849-875.
-
(1985)
J Med Chem
, vol.28
, pp. 849-875
-
-
Goodford, P.J.1
-
17
-
-
0025916872
-
Functionality maps of binding sites: A multiple Copy simultaneous search method
-
Miranker A., Karplus M. (1991) Functionality maps of binding sites: A multiple Copy simultaneous search method. Proteins 11:29-34.
-
(1991)
Proteins
, vol.11
, pp. 29-34
-
-
Miranker, A.1
Karplus, M.2
-
18
-
-
38549150173
-
Novel druggable hot spots in avian influenza neuraminidase H5N1 revealed by computational solvent mapping of a reduced and representative receptor ensemble
-
DOI 10.1111/j.1747-0285.2007.00614.x
-
Landon M.R., et al. (2008) Novel druggable hot spots in avian influenza neuraminidase H5N1 revealed by computational solvent mapping of a reduced and representative receptor ensemble. Chem Biol Drug Des 71:106-116. (Pubitemid 351160979)
-
(2008)
Chemical Biology and Drug Design
, vol.71
, Issue.2
, pp. 106-116
-
-
Landon, M.R.1
Amaro, R.E.2
Baron, R.3
Ngan, C.H.4
Ozonoff, D.5
Andrew M.Cammon, J.6
Vajda, S.7
-
19
-
-
77952553431
-
Rational design of small-molecule inhibitors of the LEDGF/p75-integrase interaction and HIV replication
-
Christ F., et al. (2010) Rational design of small-molecule inhibitors of the LEDGF/p75-integrase interaction and HIV replication. Nat Chem Biol 6:442-448.
-
(2010)
Nat Chem Biol
, vol.6
, pp. 442-448
-
-
Christ, F.1
-
20
-
-
79961092776
-
Small molecule inhibition of the TNF family cytokine CD40 ligand through a subunit fracture mechanism
-
Silvian L.F., et al. (2011) Small molecule inhibition of the TNF family cytokine CD40 ligand through a subunit fracture mechanism. ACS Chem Biol 6:636-647.
-
(2011)
ACS Chem Biol
, vol.6
, pp. 636-647
-
-
Silvian, L.F.1
-
21
-
-
33144460958
-
Formation of virus-like clusters is an intrinsic property of the tumor necrosis factor family member BAFF (B cell activating factor)
-
DOI 10.1021/bi051685o
-
Cachero T.G., et al. (2006) Formation of virus-like clusters is an intrinsic property of the tumor necrosis factor family member BAFF (B cell activating factor). Biochemistry 45:2006-2013. (Pubitemid 43271300)
-
(2006)
Biochemistry
, vol.45
, Issue.7
, pp. 2006-2013
-
-
Cachero, T.G.1
Schwartz, I.M.2
Qian, F.3
Day, E.S.4
Bossen, C.5
Ingold, K.6
Tardivel, A.7
Krushinskie, D.8
Eldredge, J.9
Silvian, L.10
Lugovskoy, A.11
Farrington, G.K.12
Strauch, K.13
Schneider, P.14
Whitty, A.15
-
22
-
-
38849180436
-
Targeting the eukaryotic translation initiation factor 4E for cancer therapy
-
DOI 10.1158/0008-5472.CAN-07-5635
-
Graff J.R., Konicek B.W., Carter J.H., Marcusson E.G. (2008) Targeting the eukaryotic translation initiation factor 4E for cancer therapy. Cancer Res 68:631-634. (Pubitemid 351206735)
-
(2008)
Cancer Research
, vol.68
, Issue.3
, pp. 631-634
-
-
Graff, J.R.1
Konicek, B.W.2
Carter, J.H.3
Marcusson, E.G.4
-
23
-
-
33846449110
-
Small-Molecule Inhibition of the Interaction between the Translation Initiation Factors eIF4E and eIF4G
-
DOI 10.1016/j.cell.2006.11.046, PII S0092867406016448
-
Moerke N.J., et al. (2007) Small-molecule inhibition of the interaction between the translation initiation factors eIF4E and eIF4G. Cell 128:257-267. (Pubitemid 46137991)
-
(2007)
Cell
, vol.128
, Issue.2
, pp. 257-267
-
-
Moerke, N.J.1
Aktas, H.2
Chen, H.3
Cantel, S.4
Reibarkh, M.Y.5
Fahmy, A.6
Gross, J.D.7
Degterev, A.8
Yuan, J.9
Chorev, M.10
Halperin, J.A.11
Wagner, G.12
-
24
-
-
79551648564
-
Reversing chemoresistance by small molecule inhibition of the translation initiation complex eIF4F
-
Cencic R., et al. (2011) Reversing chemoresistance by small molecule inhibition of the translation initiation complex eIF4F. Proc Natl Acad Sci USA 108:1046-1051.
-
(2011)
Proc Natl Acad Sci USA
, vol.108
, pp. 1046-1051
-
-
Cencic, R.1
-
25
-
-
20344387872
-
Structural Biology: The structure of interleukin-2 complexed with its alpha receptor
-
DOI 10.1126/science.1109745
-
Rickert M., Wang X., Boulanger M.J., Goriatcheva N., Garcia K.C. (2005) The structure of interleukin-2 complexed with its alpha receptor. Science 308:1477-1480. (Pubitemid 40791303)
-
(2005)
Science
, vol.308
, Issue.5727
, pp. 1477-1480
-
-
Rickert, M.1
Wang, X.2
Boulanger, M.J.3
Goriatcheva, N.4
Garcia, K.C.5
-
26
-
-
0030753124
-
Identification of a small moleucle inhibitor of the IL-2/IL-2Ralpha receptor interaction which binds to IL-2
-
DOI 10.1021/ja970702x
-
Tilley J.W., et al. (1997) Identification of a small molecule inhibitor of the IL-2/IL-2R alpha receptor interaction which binds to IL-2. J Am Chem Soc 119:7589-7590. (Pubitemid 27355129)
-
(1997)
Journal of the American Chemical Society
, vol.119
, Issue.32
, pp. 7589-7590
-
-
Tilley, J.W.1
Chen, L.2
Fry, D.C.3
Emerson, S.D.4
Powers, G.D.5
Biondi, D.6
Varnell, T.7
Trilles, R.8
Guthrie, R.9
Mennona, F.10
Kaplan, G.11
LeMahieu, R.A.12
Carson, M.13
Han, R.-J.14
Liu, C.-M.15
Palermo, R.16
Ju, G.17
-
27
-
-
0037452709
-
Binding of small molecules to an adaptive protein-protein interface
-
DOI 10.1073/pnas.252756299
-
Arkin M., et al. (2003) Binding of small molecules to an adaptive protein-protein interface. Proc Natl Acad Sci USA 100:1603-1608. (Pubitemid 36254494)
-
(2003)
Proceedings of the National Academy of Sciences of the United States of America
, vol.100
, Issue.4
, pp. 1603-1608
-
-
Arkin, M.R.1
Randal, M.2
DeLano, W.L.3
Hyde, J.4
Luong, T.N.5
Oslob, J.D.6
Raphael, D.R.7
Taylor, L.8
Wang, J.9
McDowell, R.S.10
Wells, J.A.11
Braisted, A.C.12
-
28
-
-
0037414274
-
Discovery of a potent small molecule IL-2 inhibitor through fragment assembly
-
DOI 10.1021/ja034247i
-
Braisted A., et al. (2003) Discovery of a potent small molecule IL-2 inhibitor through fragment assembly. J Am Chem Soc 125:3714-3715. (Pubitemid 36512355)
-
(2003)
Journal of the American Chemical Society
, vol.125
, Issue.13
, pp. 3714-3715
-
-
Braisted, A.C.1
Oslob, J.D.2
Delano, W.L.3
Hyde, J.4
McDowell, R.S.5
Waal, N.6
Yu, C.7
Arkin, M.R.8
Raimundo, B.C.9
-
29
-
-
0030614915
-
Structure of Bcl-x(L)-Bak peptide complex: Recognition between regulators of apoptosis
-
DOI 10.1126/science.275.5302.983
-
Sattler M., et al. (1997) Structure of Bcl-xL-Bak peptide complex: Recognition between regulators of apoptosis. Science 275:983-986. (Pubitemid 27087715)
-
(1997)
Science
, vol.275
, Issue.5302
, pp. 983-986
-
-
Sattler, M.1
Liang, H.2
Nettesheim, D.3
Meadows, R.P.4
Harlan, J.E.5
Eberstadt, M.6
Yoon, H.S.7
Shuker, S.B.8
Chang, B.S.9
Minn, A.J.10
Thompson, C.B.11
Fesik, S.W.12
-
30
-
-
20444486559
-
An inhibitor of Bcl-2 family proteins induces regression of solid tumours
-
DOI 10.1038/nature03579
-
Oltersdorf T., et al. (2005) An inhibitor of Bcl-2 family proteins induces regression of solid tumours. Nature 435:677-681. (Pubitemid 40825512)
-
(2005)
Nature
, vol.435
, Issue.7042
, pp. 677-681
-
-
Oltersdorf, T.1
Elmore, S.W.2
Shoemaker, A.R.3
Armstrong, R.C.4
Augeri, D.J.5
Belli, B.A.6
Bruncko, M.7
Deckwerth, T.L.8
Dinges, J.9
Hajduk, P.J.10
Joseph, M.K.11
Kitada, S.12
Korsmeyer, S.J.13
Kunzer, A.R.14
Letai, A.15
Li, C.16
Mitten, M.J.17
Nettesheim, D.G.18
Ng, S.19
Nimmer, P.M.20
O'Connor, J.M.21
Oleksijew, A.22
Petros, A.M.23
Reed, J.C.24
Shen, W.25
Tahir, S.K.26
Thompson, C.B.27
Tomaselli, K.J.28
Wang, B.29
Wendt, M.D.30
Zhang, H.31
Fesik, S.W.32
Rosenberg, S.H.33
more..
-
31
-
-
34548047900
-
L: Implications for selectivity of antagonists of the Bcl-2 family [1]
-
DOI 10.1038/sj.cdd.4402178, PII 4402178
-
Lee E.F., et al. (2007) Crystal structure of ABT-737 complexed with Bcl-xL: Implications for selectivity of antagonists of the Bcl-2 family. Cell Death Differ 14(9):1711-1713. (Pubitemid 47278856)
-
(2007)
Cell Death and Differentiation
, vol.14
, Issue.9
, pp. 1711-1713
-
-
Lee, E.F.1
Czabotar, P.E.2
Smith, B.J.3
Deshayes, K.4
Zobel, K.5
Colman, P.M.6
Fairlie, W.D.7
-
32
-
-
0033959744
-
MDM2 - Master regulator of the p53 tumor suppressor protein
-
DOI 10.1016/S0378-1119(99)00487-4, PII S0378111999004874
-
Momand J., Wu H., Dasgupta G. (2000) MDM2-master regulator of the p53 tumor suppressor protein. Gene 242:15-29. (Pubitemid 30064488)
-
(2000)
Gene
, vol.242
, Issue.1-2
, pp. 15-29
-
-
Momand, J.1
Wu, H.-H.2
Dasgupta, G.3
-
33
-
-
0030575937
-
Structure of the MDM2 oncoprotein bound to the p53 tumor suppressor transactivation domain
-
DOI 10.1126/science.274.5289.948
-
Kussie P.H., et al. (1996) Structure of the MDM2 oncoprotein bound to the p53 tumor suppressor transactivation domain. Science 274(5289):948-53. (Pubitemid 26398409)
-
(1996)
Science
, vol.274
, Issue.5289
, pp. 948-953
-
-
Kussie, P.H.1
Gorina, S.2
Marechal, V.3
Elenbaas, B.4
Moreau, J.5
Levine, A.J.6
Pavletich, N.P.7
-
34
-
-
10744221485
-
In Vivo Activation of the p53 Pathway by Small-Molecule Antagonists of MDM2
-
DOI 10.1126/science.1092472
-
Vassilev L., et al. (2004) In vivo activation of the p53 pathway by small-molecule antagonists of MDM2. Science 303:844-848. (Pubitemid 38174664)
-
(2004)
Science
, vol.303
, Issue.5659
, pp. 844-848
-
-
Vassilev, L.T.1
Vu, B.T.2
Graves, B.3
Carvajal, D.4
Podlaski, F.5
Filipovic, Z.6
Kong, N.7
Kammlott, U.8
Lukacs, C.9
Klein, C.10
Fotouhi, N.11
Liu, E.A.12
-
35
-
-
4043175756
-
The X-ray structure of the papillomavirus helicase in complex with its molecular matchmaker E2
-
DOI 10.1101/gad.1220104
-
Abbate E.A., Berger J.M., Botchan M.R. (2004) The X-ray structure of the papillomavirus helicase in complex with its molecular matchmaker E2. Genes Dev 18:1981-1996. (Pubitemid 39071580)
-
(2004)
Genes and Development
, vol.18
, Issue.16
, pp. 1981-1996
-
-
Abbate, E.A.1
Berger, J.M.2
Botchan, M.R.3
-
36
-
-
10744227840
-
Crystal Structure of the E2 Transactivation Domain of Human Papillomavirus Type 11 Bound to a Protein Interaction Inhibitor
-
DOI 10.1074/jbc.M311376200
-
Wang Y., et al. (2004) Crystal structure of the E2 transactivation domain of human papillomavirus type 11 bound to a protein interaction inhibitor. J Biol Chem 279:6976-6985. (Pubitemid 38248841)
-
(2004)
Journal of Biological Chemistry
, vol.279
, Issue.8
, pp. 6976-6985
-
-
Wang, Y.1
Coulombe, R.2
Cameron, D.R.3
Thauvette, L.4
Massariol, M.-J.5
Amon, L.M.6
Fink, D.7
Titolo, S.8
Welchner, E.9
Yoakim, C.10
Archambault, J.11
White, P.W.12
-
37
-
-
0034600952
-
The bacterial cell-division protein ZipA and its interaction with an FtsZ fragment revealed by X-ray crystallography
-
Mosyak L., et al. (2000) The bacterial cell-division protein ZipA and its interaction with an FtsZ fragment revealed by X-ray crystallography. EMBO J 19:3179-3191. (Pubitemid 30428197)
-
(2000)
EMBO Journal
, vol.19
, Issue.13
, pp. 3179-3191
-
-
Mosyak, L.1
Zhang, Y.2
Glasfeld, E.3
Haney, S.4
Stahl, M.5
Seehra, J.6
Somers, W.S.7
-
38
-
-
10744230770
-
Design and synthesis of indolo[2,3-a]quinolizin-7-one inhibitors of the ZipA-FtsZ interaction
-
DOI 10.1016/j.bmcl.2004.01.028, PII S0960894X04000836
-
Jennings L.D., et al. (2004) Design and synthesis of indolo[2,3-a] quinolizin-7-one inhibitors of the ZipA-FtsZ interaction. Bioorg Med Chem Lett 14:1427-1431. (Pubitemid 38299423)
-
(2004)
Bioorganic and Medicinal Chemistry Letters
, vol.14
, Issue.6
, pp. 1427-1431
-
-
Jennings, L.D.1
Foreman, K.W.2
Rush III, T.S.3
Tsao, D.H.H.4
Mosyak, L.5
Li, Y.6
Sukhdeo, M.N.7
Ding, W.8
Dushin, E.G.9
Kenny, C.H.10
Moghazeh, S.L.11
Petersen, P.J.12
Ruzin, A.V.13
Tuckman, M.14
Sutherland, A.G.15
-
39
-
-
33750067690
-
Discovery of novel inhibitors of the ZipA/FtsZ complex by NMR fragment screening coupled with structure-based design
-
DOI 10.1016/j.bmc.2006.07.050, PII S0968089606006055
-
Tsao D.H., et al. (2006) Discovery of novel inhibitors of the ZipA/FtsZ complex by NMR fragment screening coupled with structure-based design. Bioorg Med Chem 14:7953-7961. (Pubitemid 44584704)
-
(2006)
Bioorganic and Medicinal Chemistry
, vol.14
, Issue.23
, pp. 7953-7961
-
-
Tsao, D.H.H.1
Sutherland, A.G.2
Jennings, L..D.3
Li, Y.4
Rush III, T.S.5
Alvarez, J.C.6
Ding, W.7
Dushin, E.G.8
Dushin, R.G.9
Haney, S.A.10
Kenny, C.H.11
Karl, M.A.12
Nilakantan, R.13
Mosyak, L.14
-
40
-
-
14944348527
-
A shape-based 3-D scaffold hopping method and its application to a bacterial protein-protein interaction
-
DOI 10.1021/jm040163o
-
Rush T.S., 3rd, Grant J.A., Mosyak L., Nicholls A. (2005) A shape-based 3-D scaffold hopping method and its application to a bacterial protein-protein interaction. J Med Chem 48:1489-1495. (Pubitemid 40364556)
-
(2005)
Journal of Medicinal Chemistry
, vol.48
, Issue.5
, pp. 1489-1495
-
-
Rush III, T.S.1
Grant, J.A.2
Mosyak, L.3
Nicholls, A.4
-
41
-
-
27744586067
-
Small-molecule inhibition of TNF-alpha
-
He M.M., et al. (2005) Small-molecule inhibition of TNF-alpha. Science 310:1022-1025.
-
(2005)
Science
, vol.310
, pp. 1022-1025
-
-
He, M.M.1
-
42
-
-
7944225979
-
Protein-protein interactions: Hot spots and structurally conserved residues often locate in completed pockets that preorganized in the unbound states: Hot spots and structurally conserved residues often locate in completed pockets that preorganized in the unbound statesImplications for docking
-
Li X., Keskin O., Ma B., Nussinov R., Liang J. (2004) Protein-protein interactions: Hot spots and structurally conserved residues often locate in completed pockets that preorganized in the unbound states: Hot spots and structurally conserved residues often locate in completed pockets that preorganized in the unbound statesImplications for docking. J Mol Biol 344:781-785.
-
(2004)
J Mol Biol
, vol.344
, pp. 781-785
-
-
Li, X.1
Keskin, O.2
Ma, B.3
Nussinov, R.4
Liang, J.5
-
43
-
-
0033954256
-
The Protein Data Bank
-
Berman H., et al. (2000) The Protein Data Bank. Nucl Acids Res 28:235-242. (Pubitemid 30047768)
-
(2000)
Nucleic Acids Research
, vol.28
, Issue.1
, pp. 235-242
-
-
Berman, H.M.1
Westbrook, J.2
Feng, Z.3
Gilliland, G.4
Bhat, T.N.5
Weissig, H.6
Shindyalov, I.N.7
Bourne, P.E.8
-
44
-
-
0027160197
-
Backbone-dependent rotamer library for proteins. Application to side-chain prediction
-
Dunbrack R.L., Karplus M. (1993) Backbone-dependent rotamer library for proteins. Application to side-chain prediction. J Mol Biol 230:543-574.
-
(1993)
J Mol Biol
, vol.230
, pp. 543-574
-
-
Dunbrack, R.L.1
Karplus, M.2
-
45
-
-
57549102789
-
Protein-ligand docking against non-native protein conformers
-
Verdonk M.L., Mortenson P.N., Hall R.J., Hartshorn M.J., Murray C.W. (2008) Protein-ligand docking against non-native protein conformers. J Chem Inf Model 48:2214-2225.
-
(2008)
J Chem Inf Model
, vol.48
, pp. 2214-2225
-
-
Verdonk, M.L.1
Mortenson, P.N.2
Hall, R.J.3
Hartshorn, M.J.4
Murray, C.W.5
-
46
-
-
76149120388
-
AutoDock Vina: Improving the speed and accuracy of docking with a new scoring function, efficient optimization, and multithreading
-
Trott O., Olson A.J. (2010) AutoDock Vina: Improving the speed and accuracy of docking with a new scoring function, efficient optimization, and multithreading. J Comput Chem 31:455-461.
-
(2010)
J Comput Chem
, vol.31
, pp. 455-461
-
-
Trott, O.1
Olson, A.J.2
|