-
1
-
-
3242792729
-
Structural bioinformatics and its impact to biomedical science
-
Chou, K.C. Structural bioinformatics and its impact to biomedical science. Curr. Med. Chem., 2004, 11, 2105-2134.
-
(2004)
Curr. Med. Chem.
, vol.11
, pp. 2105-2134
-
-
Chou, K.C.1
-
2
-
-
65349136398
-
BSFINDER: Finding Binding Sites of HCV Proteins Using a Support Vector Machine
-
Chen, Y.; Han, K. BSFINDER: Finding Binding Sites of HCV Proteins Using a Support Vector Machine. Protein Pept. Lett., 2009, 16, 373-382.
-
(2009)
Protein Pept. Lett.
, vol.16
, pp. 373-382
-
-
Chen, Y.1
Han, K.2
-
3
-
-
35548980401
-
Robust quantitative modeling of peptide binding affinities for MHC molecules using physical-chemical descriptors
-
DOI 10.2174/092986607782110257
-
Ivanciuc, O.; Braun, W. Robust quantitative modeling of peptide binding affinities for MHC molecules using physical-chemical descriptors. Protein Pept. Lett., 2007, 14, 903-916. (Pubitemid 350013828)
-
(2007)
Protein and Peptide Letters
, vol.14
, Issue.9
, pp. 903-916
-
-
Ivanciuc, O.1
Braun, W.2
-
4
-
-
77955971760
-
Development of tools and database for analysis of metal binding sites in protein
-
Kuntal, B.K.; Aparoy, P.; Reddanna, P. Development of tools and database for analysis of metal binding sites in protein. Protein Pept. Lett., 2010, 17, 765-773.
-
(2010)
Protein Pept. Lett.
, vol.17
, pp. 765-773
-
-
Kuntal, B.K.1
Aparoy, P.2
Reddanna, P.3
-
5
-
-
33750554701
-
Progress in computational approach to drug development againt SARS
-
DOI 10.2174/092986706778773077
-
Chou, K.C.; Wei, D.Q.; Du, Q.S.; Sirois, S.; Zhong, W.Z. Progress in computational approach to drug development against SARS. Curr. Med. Chem., 2006, 13, 3263-3270. (Pubitemid 44669774)
-
(2006)
Current Medicinal Chemistry
, vol.13
, Issue.27
, pp. 3263-3270
-
-
Chou, K.-C.1
Wei, D.-Q.2
Du, Q.-S.3
Sirois, S.4
Zhong, W.-Z.5
-
6
-
-
68849090776
-
Identification of ligand-binding pockets in proteins using residue preference methods
-
Qiu, Z.; Wang, X. Identification of ligand-binding pockets in proteins using residue preference methods. Protein Pept. Lett., 2009, 16, 984-990.
-
(2009)
Protein Pept. Lett.
, vol.16
, pp. 984-990
-
-
Qiu, Z.1
Wang, X.2
-
7
-
-
54249165105
-
Toward prediction of binding affinities between the MHC protein and its peptide ligands using quantitative structure-activity relationship approach
-
Tian, F.; Lv, F.; Zhou, P.; Yang, Q.; Jalbout, A.F. Toward prediction of binding affinities between the MHC protein and its peptide ligands using quantitative structure-activity relationship approach. Protein Pept. Lett., 2008, 15, 1033-1043.
-
(2008)
Protein Pept. Lett.
, vol.15
, pp. 1033-1043
-
-
Tian, F.1
Lv, F.2
Zhou, P.3
Yang, Q.4
Jalbout, A.F.5
-
8
-
-
79960612885
-
-
Lendeckel, U., Hooper, N. M., Eds.; Springer Science: Media B.V.
-
Chou, K.C.; Wei, D.Q.; Du, Q.S.; Sirois, S.; Shen, H.B.; Zhong, W.Z. In Proteases in Biology and Disease: Viral proteases and antiviral protease inhibitor therapy; Lendeckel, U., Hooper, N. M., Eds.; Springer Science: Media B.V., 2009; Vol. 8.
-
(2009)
Proteases in Biology and Disease: Viral proteases and antiviral protease inhibitor therapy
, vol.8
-
-
Chou, K.C.1
Wei, D.Q.2
Du, Q.S.3
Sirois, S.4
Shen, H.B.5
Zhong, W.Z.6
-
9
-
-
38849107581
-
Molecular modeling of two CYP2C19 SNPs and its implications for personalized drug design
-
DOI 10.2174/092986608783330305
-
Wang, J.F.; Wei, D.Q.; Chen, C.; Li, Y.; Chou, K.C. Molecular modeling of two CYP2C19 SNPs and its implications for personalized drug design. Protein Pept. Lett., 2008, 15, 27-32. (Pubitemid 351206472)
-
(2008)
Protein and Peptide Letters
, vol.15
, Issue.1
, pp. 27-32
-
-
Wang, J.-F.1
Wei, D.-Q.2
Chen, C.3
Li, Y.4
Chou, K.-C.5
-
10
-
-
79954533005
-
Insights from modeling the 3D structure of New Delhi metallo-beta- lactamase and its binding interactions with antibiotic drugs
-
Wang, J.F.; Chou, K.C. Insights from modeling the 3D structure of New Delhi metallo-beta-lactamase and its binding interactions with antibiotic drugs. PLoS ONE 2011, 6, e18414.
-
(2011)
PLoS ONE
, vol.6
-
-
Wang, J.F.1
Chou, K.C.2
-
11
-
-
38749106195
-
Structure and mechanism of the M2 proton channel of influenza A virus
-
DOI 10.1038/nature06531, PII NATURE06531
-
Schnell, J.R.; Chou, J.J. Structure and mechanism of the M2 proton channel of influenza A virus. Nature, 2008, 451, 591-595. (Pubitemid 351186272)
-
(2008)
Nature
, vol.451
, Issue.7178
, pp. 591-595
-
-
Schnell, J.R.1
Chou, J.J.2
-
12
-
-
66149112971
-
Mechanism of drug inhibition and drug resistance of influenza A M2 channel
-
Pielak, R. M.; Jason R. Schnell, J. R.; Chou, J. J. Mechanism of drug inhibition and drug resistance of influenza A M2 channel. Proc Natl Acad Sci USA, 2009, 106, 7379-7384.
-
(2009)
Proc Natl Acad Sci USA
, vol.106
, pp. 7379-7384
-
-
Pielak, R.M.1
Jason, R.2
Schnell, J.R.3
Chou, J.J.4
-
13
-
-
59149083761
-
Drug candidates from traditional chinese medicines
-
Wang, J.F.; Wei, D.Q.; Chou, K.C. Drug candidates from traditional chinese medicines. Curr. Top. Med. Chem., 2008, 8, 1656-1665.
-
(2008)
Curr. Top. Med. Chem.
, vol.8
, pp. 1656-1665
-
-
Wang, J.F.1
Wei, D.Q.2
Chou, K.C.3
-
14
-
-
67651177731
-
Binding of CYP2C9 with diverse drugs and its implications for metabolic mechanism
-
Wang, J.F.; Yan, J.Y.; Wei, D.Q.; Chou, K.C. Binding of CYP2C9 with diverse drugs and its implications for metabolic mechanism. Med. Chem., 2009, 5, 263-270.
-
(2009)
Med. Chem.
, vol.5
, pp. 263-270
-
-
Wang, J.F.1
Yan, J.Y.2
Wei, D.Q.3
Chou, K.C.4
-
15
-
-
0041848237
-
Binding mechanism of coronavirus main proteinase with ligands and its implication to drug design against SARS
-
Chou, K.C.; Wei, D.Q.; Zhong, W.Z. Binding mechanism of coronavirus main proteinase with ligands and its implication to drug design against SARS. Biochem. Biophys. Res. Comm., 2003, 308, 148-151.
-
(2003)
Biochem. Biophys. Res. Comm.
, vol.308
, pp. 148-151
-
-
Chou, K.C.1
Wei, D.Q.2
Zhong, W.Z.3
-
16
-
-
79954557710
-
An allosteric mechanism inferred from molecular dynamics simulations on phospholamban pentamer in lipid membranes
-
Lian, P.; Wei, D.Q.; Wang, J.F.; Chou, K.C. An allosteric mechanism inferred from molecular dynamics simulations on phospholamban pentamer in lipid membranes. PLoS ONE, 2011, 6, e18587.
-
(2011)
PLoS ONE
, vol.6
-
-
Lian, P.1
Wei, D.Q.2
Wang, J.F.3
Chou, K.C.4
-
17
-
-
77954964960
-
Insights from studying the mutationinduced allostery in the M2 proton channel by molecular dnamics
-
Wang, J.F.; Chou, K.C. Insights from studying the mutationinduced allostery in the M2 proton channel by molecular dnamics. Protein Eng. Des. Sel., 2010, 23, 663-666.
-
(2010)
Protein Eng. Des. Sel.
, vol.23
, pp. 663-666
-
-
Wang, J.F.1
Chou, K.C.2
-
18
-
-
77953307949
-
Molecular modeling of cytochrome P450 and drug metabolism
-
Wang, J.F.; Chou, K.C. Molecular modeling of cytochrome P450 and drug metabolism. Curr. Drug. Metab., 2010, 11, 342-346.
-
(2010)
Curr. Drug. Metab.
, vol.11
, pp. 342-346
-
-
Wang, J.F.1
Chou, K.C.2
-
19
-
-
77952768347
-
Molecular dynamics studies on T1 lipase: Insight into a double-flap mechanism
-
Wang, Y.; Wei, D.Q.; Wang, J.F. Molecular dynamics studies on T1 lipase: Insight into a double-flap mechanism. J. Chem. Inf. Model., 2010, 50, 875-878.
-
(2010)
J. Chem. Inf. Model.
, vol.50
, pp. 875-878
-
-
Wang, Y.1
Wei, D.Q.2
Wang, J.F.3
-
20
-
-
77955836275
-
Molecular dynamics simulations exploring drug resistance in HIV-1 proteases
-
Gu, H.; Chen, H.F.; Wei, D.Q.; Wang, J.F.. Molecular dynamics simulations exploring drug resistance in HIV-1 proteases. Chiese Sci. Bull., 2010, 55, 2677-2683.
-
(2010)
Chiese Sci. Bull.
, vol.55
, pp. 2677-2683
-
-
Gu, H.1
Chen, H.F.2
Wei, D.Q.3
Wang, J.F.4
-
21
-
-
70450224653
-
Insight into the molecular switch mechansm of human Rab5a from molecular dynamics simulations
-
Wang, J.F.; Chou, K.C. Insight into the molecular switch mechansm of human Rab5a from molecular dynamics simulations. Biochem. Biophys. Res. Commun., 2009, 390, 608-612.
-
(2009)
Biochem. Biophys. Res. Commun.
, vol.390
, pp. 608-612
-
-
Wang, J.F.1
Chou, K.C.2
-
22
-
-
69249222514
-
Insights from investigating the interactions of adamantane-based drugs with the M2 proton channel from the H1N1 swine virus
-
Wang, J.F.; Wei, D.Q.; Chou, K.C. Insights from investigating the interactions of adamantane-based drugs with the M2 proton channel from the H1N1 swine virus. Biochem. Biophys. Res. Commun., 2009, 388, 413-417.
-
(2009)
Biochem. Biophys. Res. Commun.
, vol.388
, pp. 413-417
-
-
Wang, J.F.1
Wei, D.Q.2
Chou, K.C.3
-
23
-
-
67651102915
-
Molecular dynamics studies on the interactions of PTP1B with inhibitors: From the first phosphate-binding site to the second one
-
Wang, J.F.; Gong, K.; Wei, D.Q.; Li, Y.X.; Chou, K.C. Molecular dynamics studies on the interactions of PTP1B with inhibitors: From the first phosphate-binding site to the second one. Protein. Eng. Des. Sel., 2009, 22, 349-355.
-
(2009)
Protein. Eng. Des. Sel.
, vol.22
, pp. 349-355
-
-
Wang, J.F.1
Gong, K.2
Wei, D.Q.3
Li, Y.X.4
Chou, K.C.5
-
24
-
-
77956628436
-
Structural flexibility and interactions of PTP1B's S-loop
-
Wang, J.F.; Gong, K.; Wei, D.Q.; Li, Y.X. Structural flexibility and interactions of PTP1B's S-loop. Interdiscip. Sci., 2009, 1, 214-219.
-
(2009)
Interdiscip. Sci.
, vol.1
, pp. 214-219
-
-
Wang, J.F.1
Gong, K.2
Wei, D.Q.3
Li, Y.X.4
-
25
-
-
33847129220
-
3D structure modeling of cytochrome P450 2C19 and its implication for personalized drug design
-
DOI 10.1016/j.bbrc.2007.01.185, PII S0006291X07002665
-
Wang, J.F.; Wei, D.Q.; Li, L.; Zheng, S.Y.; Li, Y.X.; Chou, K.C. 3D structure modeling of cytochrome P450 2C19 and its implication for personalized drug design. Biochem. Biophys. Res. Commun., 2007, 355, 513-519. (Pubitemid 46282658)
-
(2007)
Biochemical and Biophysical Research Communications
, vol.355
, Issue.2
, pp. 513-519
-
-
Wang, J.-F.1
Wei, D.-Q.2
Li, L.3
Zheng, S.-Y.4
Li, Y.-X.5
Chou, K.-C.6
-
26
-
-
34249993539
-
Insights from modeling the 3D structure of NAD(P)H-dependent d-xylose reductase of Pichia stipitis and its binding interactions with NAD and NADP
-
DOI 10.1016/j.bbrc.2007.05.101, PII S0006291X07010534
-
Wang, J.F.; Wei, D.Q.; Lin, Y.; Wang, Y.H.; Du, H.L.; Li, Y.X.; Chou, K.C. Insights from modeling the 3D structure of NAD(P)Hdependent D-xylose reductase of Pichia stipitis and its binding interactions with NAD and NADP. Biochem. Biophys. Res. Commun., 2007, 359, 323-329. (Pubitemid 46887686)
-
(2007)
Biochemical and Biophysical Research Communications
, vol.359
, Issue.2
, pp. 323-329
-
-
Wang, J.-F.1
Wei, D.-Q.2
Lin, Y.3
Wang, Y.-H.4
Du, H.-L.5
Li, Y.-X.6
Chou, K.-C.7
-
27
-
-
67651146680
-
Binding mechanism of H5N1 influenza virus neuraminidase with ligands and its implication for drug design
-
Gong, K.; Li, L.; Wang, J.F.; Cheng, F.; Wei, D.Q.; Chou, K.C. Binding mechanism of H5N1 influenza virus neuraminidase with ligands and its implication for drug design. Med. Chem., 2009, 5, 242-249.
-
(2009)
Med. Chem.
, vol.5
, pp. 242-249
-
-
Gong, K.1
Li, L.2
Wang, J.F.3
Cheng, F.4
Wei, D.Q.5
Chou, K.C.6
-
28
-
-
67651180849
-
Possible drug candidates for Alzheimer's disease deduced from studying their binding interactions with alpha7 nicotinic acetylcholine receptor
-
Gu, R.X.; Gu, H.; Xie, Z.Y.; Wang, J.F.; Arias, H.R.; Wei, D.Q.; Chou, K.C. Possible drug candidates for Alzheimer's disease deduced from studying their binding interactions with alpha7 nicotinic acetylcholine receptor. Med. Chem., 2009, 5, 250-262.
-
(2009)
Med. Chem.
, vol.5
, pp. 250-262
-
-
Gu, R.X.1
Gu, H.2
Xie, Z.Y.3
Wang, J.F.4
Arias, H.R.5
Wei, D.Q.6
Chou, K.C.7
-
29
-
-
77953895268
-
Docking and molecular dynamics studies on CYP2D6
-
Wang, J.F.; Zhang, C.C.; Wei, D.Q. Docking and molecular dynamics studies on CYP2D6. Chinese Sci. Bull., 2010, 55, 1877- 1880.
-
(2010)
Chinese Sci. Bull.
, vol.55
, pp. 1877-1880
-
-
Wang, J.F.1
Zhang, C.C.2
Wei, D.Q.3
-
30
-
-
70649104684
-
Role of structural bioinformatics and traditional Chinese medicine databases in pharmacogenomics
-
Wang, J.F.; Wei, D.Q.. Role of structural bioinformatics and traditional Chinese medicine databases in pharmacogenomics. Pharmacogenomics, 2009, 10, 1213-1215.
-
(2009)
Pharmacogenomics
, vol.10
, pp. 1213-1215
-
-
Wang, J.F.1
Wei, D.Q.2
-
31
-
-
62349108804
-
Structure of cytochrome P450s and personalized drug
-
Wang, J.F.; Zhang, C.C.; Chou, K.C.; Wei, D.Q. Structure of cytochrome P450s and personalized drug. Curr. Med. Chem., 2009, 16, 232-244.
-
(2009)
Curr. Med. Chem.
, vol.16
, pp. 232-244
-
-
Wang, J.F.1
Zhang, C.C.2
Chou, K.C.3
Wei, D.Q.4
-
32
-
-
59149104827
-
Pharmacogenomics and personalized use of drugs
-
Wang, J.F.; Wei, D.Q.; Chou, K.C. Pharmacogenomics and personalized use of drugs. Curr. Top. Med. Chem., 2008, 8, 1573-1579.
-
(2008)
Curr. Top. Med. Chem.
, vol.8
, pp. 1573-1579
-
-
Wang, J.F.1
Wei, D.Q.2
Chou, K.C.3
-
33
-
-
40449106623
-
Binding of tris to Bacillus licheniformis α-amylase can affect its starch hydrolysis activity
-
Ghalanbor, Z.; Ghaemi, N.; Marashi, S.A.; Amanlou, M.; Habibi- Rezaei, M.; Khajeh, K.; Ranjbar, B. Binding of Tris to Bacillus licheniformis alpha-amylase can affect its starch hydrolysis activity. Protein Pept. Lett., 2008, 15, 212-214. (Pubitemid 351346475)
-
(2008)
Protein and Peptide Letters
, vol.15
, Issue.2
, pp. 212-214
-
-
Ghalanbor, Z.1
Ghaemi, N.2
Marashi, S.-A.3
Amanlou, M.4
Habibi-Rezaei, M.5
Khajeh, K.6
Ranjbar, B.7
-
34
-
-
34548672784
-
ParDOCK: An all atom energy based Monte Carlo docking protocol for protein-ligand complexes
-
DOI 10.2174/092986607781483831
-
Gupta, A.; Gandhimathi, A.; Sharma, P.; Jayaram, B. ParDOCK: An all atom energy based Monte Carlo docking protocol for proteinligand complexes. Protein Pept. Lett., 2007, 14, 632-646. (Pubitemid 47416367)
-
(2007)
Protein and Peptide Letters
, vol.14
, Issue.7
, pp. 632-646
-
-
Gupta, A.1
Gandhimathi, A.2
Sharma, P.3
Jayaram, B.4
-
35
-
-
41449118133
-
A docking modelling rationally predicts strong binding of bisphenol A to estrogen-related receptor γ
-
DOI 10.2174/092986608783744261
-
Nose, T.; Shimohigashi, Y. A docking modelling rationally predicts strong binding of bisphenol A to estrogen-related receptor gamma. Protein Pept. Lett., 2008, 15, 290-296. (Pubitemid 351457379)
-
(2008)
Protein and Peptide Letters
, vol.15
, Issue.3
, pp. 290-296
-
-
Nose, T.1
Shimohigashi, Y.2
-
36
-
-
61549113148
-
Design synthesis and docking studies of Hydroxyethylamine and Hydroxyethylsulfide BACE-1 inhibitors
-
Rizzi, L.; Vaiana, N.; Sagui, F.; Genesio, E.; Pilli, E.; Porcari, V.; Romeo, S. Design, synthesis and docking studies of Hydroxyethylamine and Hydroxyethylsulfide BACE-1 inhibitors. Protein Pept. Lett., 2009, 16, 86-90.
-
(2009)
Protein Pept. Lett.
, vol.16
, pp. 86-90
-
-
Rizzi, L.1
Vaiana, N.2
Sagui, F.3
Genesio, E.4
Pilli, E.5
Porcari, V.6
Romeo, S.7
-
37
-
-
77950010038
-
Toward the virtual screening of potential drugs in the homology modeled NAD+ dependent DNA ligase from Mycobacterium tuberculosis
-
Singh, V.; Somvanshi, P. Toward the virtual screening of potential drugs in the homology modeled NAD+ dependent DNA ligase from Mycobacterium tuberculosis. Protein Pept. Lett., 2010, 17, 269-276.
-
(2010)
Protein Pept. Lett.
, vol.17
, pp. 269-276
-
-
Singh, V.1
Somvanshi, P.2
-
38
-
-
77955969371
-
Homology modeling studies of yeast Mitogen-Activated Protein Kinases (MAPKS): Structural motifs as a basis for specificity
-
Smith, D. L.; Nilar, S.H. Homology modeling studies of yeast Mitogen-Activated Protein Kinases (MAPKS): Structural motifs as a basis for specificity. Protein Pept. Lett., 2010, 17, 732-738.
-
(2010)
Protein Pept. Lett.
, vol.17
, pp. 732-738
-
-
Smith, D.L.1
Nilar, S.H.2
-
39
-
-
63449131838
-
Screening of SMG7- binding peptides by combination of phage display and docking simulation analysis
-
Zahed, M.; Suzuki, T.; Suganami, A.; Sugiyama, H.; Harada, K.; Takiguchi, M.; Tamura, Y.; Suzuki, N. Screening of SMG7- binding peptides by combination of phage display and docking simulation analysis. Protein Pept. Lett., 2009, 16, 301-305.
-
(2009)
Protein Pept. Lett.
, vol.16
, pp. 301-305
-
-
Zahed, M.1
Suzuki, T.2
Suganami, A.3
Sugiyama, H.4
Harada, K.5
Takiguchi, M.6
Tamura, Y.7
Suzuki, N.8
-
40
-
-
0031449933
-
Prediction of the tertiary structure and substrate binding site of caspase-8
-
DOI 10.1016/S0014-5793(97)01246-5, PII S0014579397012465
-
Chou, K.C.; Jones, D.; Heinrikson, R.L. Prediction of the tertiary structure and substrate binding site of caspase-8. FEBS Lett., 1997, 419, 49-54. (Pubitemid 28011215)
-
(1997)
FEBS Letters
, vol.419
, Issue.1
, pp. 49-54
-
-
Chou, K.-C.1
Jones, D.2
Heinrikson, R.L.3
-
41
-
-
67349139888
-
Energetic analysis of the two controversial drug binding sites of the M2 proton channel in influenza A virus
-
Du, Q.S.; Huang, R.B.; Wang, C.H.; Li, X.M.; Chou, K.C. Energetic analysis of the two controversial drug binding sites of the M2 proton channel in influenza A virus. J. Theor. Biol., 2009, 259, 159-164.
-
(2009)
J. Theor. Biol.
, vol.259
, pp. 159-164
-
-
Du, Q.S.1
Huang, R.B.2
Wang, C.H.3
Li, X.M.4
Chou, K.C.5
-
42
-
-
2642547217
-
Identify catalytic triads of serine hydrolases by support vector machines
-
Cai, Y.D.; Zhou, G.P.; Jen, C.H.; Lin, S.L.; Chou, K.C. Identify catalytic triads of serine hydrolases by support vector machines. J. Theor. Biol., 2004, 228, 551-557.
-
(2004)
J. Theor. Biol.
, vol.228
, pp. 551-557
-
-
Cai, Y.D.1
Zhou, G.P.2
Jen, C.H.3
Lin, S.L.4
Chou, K.C.5
-
43
-
-
1442275649
-
A novel approach to predict active sites of enzyme molecules
-
Chou, K.C.; Cai, Y.D. A novel approach to predict active sites of enzyme molecules. Proteins., 2004, 55, 77-82.
-
(2004)
Proteins.
, vol.55
, pp. 77-82
-
-
Chou, K.C.1
Cai, Y.D.2
-
44
-
-
77949597169
-
Designing inhibitors of M2 proton channel against H1N1 swine influenza virus
-
Du, Q.S.; Huang, R.B.; Wang, S.Q.; Chou, K.C. Designing inhibitors of M2 proton channel against H1N1 swine influenza virus. PLoS ONE, 2010, 5, e9388.
-
(2010)
PLoS ONE
, vol.5
-
-
Du, Q.S.1
Huang, R.B.2
Wang, S.Q.3
Chou, K.C.4
-
45
-
-
77957817349
-
Three new powerful Oseltamivir derivatives for inhibiting the neuraminidase of influenza virus
-
Wang, S.Q.; Cheng, X.C.; Dong, W.L.; Wang, R.L.; Chou, K.C. Three new powerful Oseltamivir derivatives for inhibiting the neuraminidase of influenza virus. Biochem. Biophys. Res. Commun., 2010, 401, 188-191.
-
(2010)
Biochem. Biophys. Res. Commun.
, vol.401
, pp. 188-191
-
-
Wang, S.Q.1
Cheng, X.C.2
Dong, W.L.3
Wang, R.L.4
Chou, K.C.5
-
46
-
-
0020102584
-
Role of the protein outside active site on the diffusion-controlled reaction of enzyme
-
Chou, K.C.; Zhou, G.P. Role of the protein outside active site on the diffusion-controlled reaction of enzyme. J. Am. Chem. Soc., 1982, 104, 1409-1413.
-
(1982)
J. Am. Chem. Soc.
, vol.104
, pp. 1409-1413
-
-
Chou, K.C.1
Zhou, G.P.2
-
47
-
-
3142781225
-
Small-molecule inhibitors of protein-protein interactions: Progressing towards the dream
-
Arkin, M.R.; Wells, J.A. Small-molecule inhibitors of proteinprotein interactions: Progressing towards the dream. Nat. Rev. Drug. Discov., 2004, 3, 301-317. (Pubitemid 38499758)
-
(2004)
Nature Reviews Drug Discovery
, vol.3
, Issue.4
, pp. 301-317
-
-
Arkin, M.R.1
Wells, J.A.2
-
48
-
-
0031687653
-
Anatomy of protein pockets and cavities: Measurement of binding site geometry and implications for ligand design
-
Liang, J.; Edelsbrunner, H.; Woodward, C. Anatomy of protein pockets and cavities: Measurement of binding site geometry and implications for ligand design. Protein Sci., 1998, 7, 1884-1897. (Pubitemid 28432430)
-
(1998)
Protein Science
, vol.7
, Issue.9
, pp. 1884-1897
-
-
Liang, J.1
Edelsbrunner, H.2
Woodward, C.3
-
49
-
-
0029935202
-
The automatic search for ligand binding sites in proteins of known three-dimensional structure using only geometric criteria
-
DOI 10.1006/jmbi.1996.0077
-
Peters, K. P.; Fauck, J.; Frommel, C. The automatic search for ligand binding sites in proteins of known three-dimensional structure using only geometric criteria. J. Mol. Biol., 1996, 256, 201-213. (Pubitemid 26104219)
-
(1996)
Journal of Molecular Biology
, vol.256
, Issue.1
, pp. 201-213
-
-
Peters, K.P.1
Fauck, J.2
Frommel, C.3
-
50
-
-
33749506205
-
Methods for the prediction of protein-ligand binding sites for structure-based drug design and virtual ligand screening
-
DOI 10.2174/138920306778559386
-
Laurie, A.T.; Jackson, R.M. Methods for the prediction of proteinligand binding sites for structure-based drug design and virtual ligand screening. Curr. Protein Pept. Sci., 2006, 7, 395-406. (Pubitemid 44524489)
-
(2006)
Current Protein and Peptide Science
, vol.7
, Issue.5
, pp. 395-406
-
-
Laurie, A.T.R.1
Jackson, R.M.2
-
51
-
-
0027053611
-
POCKET: A computer graphics method for identifying and displaying protein cavities and their surrounding amino acids
-
DOI 10.1016/0263-7855(92)80074-N
-
Levitt, D.G.; Banaszak, L.J. POCKET: A computer graphics method for identifying and displaying protein cavities and their surrounding amino acids. J. Mol. Graph., 1992, 10, 229-234. (Pubitemid 23018967)
-
(1992)
Journal of Molecular Graphics
, vol.10
, Issue.4
, pp. 229-234
-
-
Levitt, D.G.1
Banaszak, L.J.2
-
52
-
-
0031370977
-
LIGSITE: Automatic and efficient detection of potential small molecule-binding sites in proteins
-
DOI 10.1016/S1093-3263(98)00002-3, PII S1093326398000023
-
Hendlich, M.; Rippmann, F.; Barnickel, G. LIGSITE: Automatic and efficient detection of potential small molecule-binding sites in proteins. J. Mol. Graph. Model., 1997, 15, 359-363, 389. (Pubitemid 28409807)
-
(1997)
Journal of Molecular Graphics and Modelling
, vol.15
, Issue.6
, pp. 359-363
-
-
Hendlich, M.1
Rippmann, F.2
Barnickel, G.3
-
53
-
-
0342424187
-
Fast prediction and visualization of protein binding pockets with PASS
-
DOI 10.1023/A:1008124202956
-
Brady, G.P., Jr.; Stouten, P.F. Fast prediction and visualization of protein binding pockets with PASS. J. Comput. Aided Mol. Des., 2000, 14, 383-401. (Pubitemid 30219399)
-
(2000)
Journal of Computer-Aided Molecular Design
, vol.14
, Issue.4
, pp. 383-401
-
-
Brady Jr., G.P.1
Stouten, P.F.W.2
-
54
-
-
0041989751
-
CASTp: Computed Atlas of Surface Topography of proteins
-
DOI 10.1093/nar/gkg512
-
Binkowski, T.A.; Naghibzadeh, S.; Liang, J. CASTp: Computed Atlas of Surface Topography of proteins. Nucleic Acids Res., 2003, 31, 3352-3355. (Pubitemid 37442157)
-
(2003)
Nucleic Acids Research
, vol.31
, Issue.13
, pp. 3352-3355
-
-
Binkowski, T.A.1
Naghibzadeh, S.2
Liang, J.3
-
55
-
-
18744394070
-
Q-SiteFinder: An energy-based method for the prediction of protein-ligand binding sites
-
DOI 10.1093/bioinformatics/bti315
-
Laurie, A.T.; Jackson, R.M. Q-SiteFinder: An energy-based method for the prediction of protein-ligand binding sites. Bioinformatics, 2005, 21, 1908-1916. (Pubitemid 40668026)
-
(2005)
Bioinformatics
, vol.21
, Issue.9
, pp. 1908-1916
-
-
Laurie, A.T.R.1
Jackson, R.M.2
-
56
-
-
0021871375
-
A computational procedure for determining energetically favorable binding sites on biologically important macromolecules
-
DOI 10.1021/jm00145a002
-
Goodford, P.J. A computational procedure for determining energetically favorable binding sites on biologically important macromolecules. J. Med. Chem., 1985, 28, 849-857. (Pubitemid 15012490)
-
(1985)
Journal of Medicinal Chemistry
, vol.28
, Issue.7
, pp. 849-857
-
-
Goodford, P.J.1
-
57
-
-
0000788596
-
The convex hull of a random set of points
-
Efron, B. The convex hull of a random set of points. Biometrika, 1965, 52, 331-343.
-
(1965)
Biometrika
, vol.52
, pp. 331-343
-
-
Efron, B.1
-
58
-
-
22844457314
-
Limit theorems for the convex hull of random points in higher dimensions
-
Hueter, I. Limit theorems for the convex hull of random points in higher dimensions. T. Am. Math. Soc., 1999, 351, 4337-4363.
-
(1999)
T. Am. Math. Soc.
, vol.351
, pp. 4337-4363
-
-
Hueter, I.1
-
59
-
-
2942522721
-
ASAView: Database and tool for solvent accessibility representation in proteins
-
Ahmad, S.; Gromiha, M.; Fawareh, H.; Sarai, A. ASAView: Database and tool for solvent accessibility representation in proteins. BMC Bioinformatics, 2004, 5, 51.
-
(2004)
BMC Bioinformatics
, vol.5
, pp. 51
-
-
Ahmad, S.1
Gromiha, M.2
Fawareh, H.3
Sarai, A.4
-
60
-
-
0020997912
-
Dictionary of protein secondary structure: Pattern recognition of hydrogen-bonded and geometrical features
-
Kabsch, W.; Sander, C. Dictionary of protein secondary structure: Pattern recognition of hydrogen-bonded and geometrical features. Biopolymers, 1983, 22, 2577-2637.
-
(1983)
Biopolymers
, vol.22
, pp. 2577-2637
-
-
Kabsch, W.1
Sander, C.2
-
61
-
-
2542530042
-
The PDBbind database: Collection of binding affinities for protein-ligand complexes with known three-dimensional structures
-
DOI 10.1021/jm030580l
-
Wang, R.; Fang, X.; Lu, Y.; Wang, S. The PDBbind database: Collection of binding affinities for protein-ligand complexes with known three-dimensional structures. J. Med. Chem., 2004, 47, 2977-2980. (Pubitemid 38702694)
-
(2004)
Journal of Medicinal Chemistry
, vol.47
, Issue.12
, pp. 2977-2980
-
-
Wang, R.1
Fang, X.2
Lu, Y.3
Wang, S.4
|