-
1
-
-
44349113144
-
Estimating the size of the human interactome
-
DOI 10.1073/pnas.0708078105
-
Estimating the size of the human interactome. MP Stumpf T Thorne E de Silva R Stewart HJ An M Lappe C Wiuf, Proc Natl Acad Sci USA 2008 105 6959 6964 10.1073/pnas.0708078105 18474861 (Pubitemid 351754512)
-
(2008)
Proceedings of the National Academy of Sciences of the United States of America
, vol.105
, Issue.19
, pp. 6959-6964
-
-
Stumpf, M.P.H.1
Thorne, T.2
De Silva, E.3
Stewart, R.4
Hyeong, J.A.5
Lappe, M.6
Wiuf, C.7
-
2
-
-
0035630691
-
Protein-protein interfaces: Mimics and inhibitors
-
DOI 10.1016/S1367-5931(01)00262-9
-
Protein-protein interfaces: mimics and inhibitors. AG Cochran, Curr Opin Chem Biol 2001 5 654 659 10.1016/S1367-5931(01)00262-9 11738175 (Pubitemid 33153162)
-
(2001)
Current Opinion in Chemical Biology
, vol.5
, Issue.6
, pp. 654-659
-
-
Cochran, A.G.1
-
3
-
-
37249004920
-
Reaching for high-hanging fruit in drug discovery at protein-protein interfaces
-
DOI 10.1038/nature06526, PII NATURE06526
-
Reaching for high-hanging fruit in drug discovery at protein-protein interfaces. JA Wells CL McClendon, Nature 2007 450 1001 1009 10.1038/nature06526 18075579 (Pubitemid 350273630)
-
(2007)
Nature
, vol.450
, Issue.7172
, pp. 1001-1009
-
-
Wells, J.A.1
McClendon, C.L.2
-
4
-
-
41949126415
-
In silico-in vitro screening of protein-protein interactions: Towards the next generation of therapeutics
-
DOI 10.2174/138920108783955218
-
In silico-in vitro screening of protein-protein interactions: towards the next generation of therapeutics. BO Villoutreix K Bastard O Sperandio R Fahraeus JL Poyet F Calvo B Deprez MA Miteva, Curr Pharm Biotechnol 2008 9 103 122 10.2174/138920108783955218 18393867 (Pubitemid 351513489)
-
(2008)
Current Pharmaceutical Biotechnology
, vol.9
, Issue.2
, pp. 103-122
-
-
Villoutreix, B.O.1
Bastard, K.2
Sperandio, O.3
Fahraeus, R.4
Poyet, J.-L.5
Calvo, F.6
Deprez, B.7
Miteva, M.A.8
-
5
-
-
77949743743
-
Atomic analysis of protein-protein interfaces with known inhibitors: The 2P2I database
-
10.1371/journal.pone.0009598. 20231898
-
Atomic analysis of protein-protein interfaces with known inhibitors: the 2P2I database. R Bourgeas MJ Basse X Morelli P Roche, PLoS One 2010 5 9598 10.1371/journal.pone.0009598 20231898
-
(2010)
PLoS One
, vol.5
, pp. 59598
-
-
Bourgeas, R.1
Basse, M.J.2
Morelli, X.3
Roche, P.4
-
6
-
-
58849145512
-
Predicting druggable binding sites at the protein-protein interface
-
10.1016/j.drudis.2008.10.009. 19041415
-
Predicting druggable binding sites at the protein-protein interface. JC Fuller NJ Burgoyne RM Jackson, Drug Discov Today 2009 14 155 161 10.1016/j.drudis.2008.10.009 19041415
-
(2009)
Drug Discov Today
, vol.14
, pp. 155-161
-
-
Fuller, J.C.1
Burgoyne, N.J.2
Jackson, R.M.3
-
7
-
-
77950839899
-
Designing focused chemical libraries enriched in protein-protein interaction inhibitors using machine-learning methods
-
10.1371/journal.pcbi.1000695. 20221258
-
Designing focused chemical libraries enriched in protein-protein interaction inhibitors using machine-learning methods. C Reynes H Host AC Camproux G Laconde F Leroux A Mazars B Deprez R Fahraeus BO Villoutreix O Sperandio, PLoS Comput Biol 2010 6 1000695 10.1371/journal.pcbi.1000695 20221258
-
(2010)
PLoS Comput Biol
, vol.6
, pp. 51000695
-
-
Reynes, C.1
Host, H.2
Camproux, A.C.3
Laconde, G.4
Leroux, F.5
Mazars, A.6
Deprez, B.7
Fahraeus, R.8
Villoutreix, B.O.9
Sperandio, O.10
-
8
-
-
77649233664
-
Rationalizing the chemical space of protein-protein interaction inhibitors
-
10.1016/j.drudis.2009.11.007. 19969101
-
Rationalizing the chemical space of protein-protein interaction inhibitors. O Sperandio CH Reynes AC Camproux BO Villoutreix, Drug Discov Today 2010 15 220 229 10.1016/j.drudis.2009.11.007 19969101
-
(2010)
Drug Discov Today
, vol.15
, pp. 220-229
-
-
Sperandio, O.1
Reynes, C.H.2
Camproux, A.C.3
Villoutreix, B.O.4
-
9
-
-
0032480803
-
2+-calmodulin: Crystallographic and spectroscopic studies
-
DOI 10.1021/bi980795a
-
Simultaneous binding of drugs with different chemical structures to Ca2+-calmodulin: crystallographic and spectroscopic studies. BG Vertessy V Harmat Z Bocskei G Naray-Szabo F Orosz J Ovadi, Biochemistry 1998 37 15300 15310 10.1021/bi980795a 9799490 (Pubitemid 28515990)
-
(1998)
Biochemistry
, vol.37
, Issue.44
, pp. 15300-15310
-
-
Vertessy, B.G.1
Harmat, V.2
Bocskei, Z.3
Naray-Szabo, G.4
Orosz, F.5
Ovadi, J.6
-
10
-
-
0037048711
-
Development of a potent Bcl-x(L) antagonist based on alpha-helix mimicry
-
10.1021/ja026861k. 12358513
-
Development of a potent Bcl-x(L) antagonist based on alpha-helix mimicry. O Kutzki HS Park JT Ernst BP Orner H Yin AD Hamilton, J Am Chem Soc 2002 124 11838 11839 10.1021/ja026861k 12358513
-
(2002)
J Am Chem Soc
, vol.124
, pp. 11838-11839
-
-
Kutzki, O.1
Park, H.S.2
Ernst, J.T.3
Orner, B.P.4
Yin, H.5
Hamilton, A.D.6
-
11
-
-
22944431902
-
L
-
DOI 10.1021/ja050122x
-
Terphenyl-Based Bak BH3 alpha-helical proteomimetics as low-molecular-weight antagonists of Bcl-xL. H Yin GI Lee KA Sedey O Kutzki HS Park BP Orner JT Ernst HG Wang SM Sebti AD Hamilton, J Am Chem Soc 2005 127 10191 10196 10.1021/ja050122x 16028929 (Pubitemid 41045484)
-
(2005)
Journal of the American Chemical Society
, vol.127
, Issue.29
, pp. 10191-10196
-
-
Yin, H.1
Lee, G.-I.2
Sedey, K.A.3
Kutzki, O.4
Park, H.S.5
Orner, B.P.6
Ernst, J.T.7
Wang, H.-G.8
Sebti, S.M.9
Hamilton, A.D.10
-
12
-
-
0034801374
-
Toward proteomimetics: Terphenyl derivatives as structural and functional mimics of extended regions of an α-helix [18]
-
DOI 10.1021/ja0025548
-
Toward proteomimetics: terphenyl derivatives as structural and functional mimics of extended regions of an alpha-helix. BP Orner JT Ernst AD Hamilton, J Am Chem Soc 2001 123 5382 5383 10.1021/ja0025548 11457415 (Pubitemid 32910693)
-
(2001)
Journal of the American Chemical Society
, vol.123
, Issue.22
, pp. 5382-5383
-
-
Orner, B.P.1
Ernst, J.T.2
Hamilton, A.D.3
-
14
-
-
0034256090
-
Calmodulin: A prototypical calcium sensor
-
DOI 10.1016/S0962-8924(00)01800-6, PII S0962892400018006
-
Calmodulin: a prototypical calcium sensor. D Chin AR Means, Trends Cell Biol 2000 10 322 328 10.1016/S0962-8924(00)01800-6 10884684 (Pubitemid 30445239)
-
(2000)
Trends in Cell Biology
, vol.10
, Issue.8
, pp. 322-328
-
-
Chin, D.1
Means, A.R.2
-
15
-
-
58749083051
-
Conformation and free energy analyses of the complex of calcium-bound calmodulin and the Fas death domain
-
10.1529/biophysj.108.130542. 18820240
-
Conformation and free energy analyses of the complex of calcium-bound calmodulin and the Fas death domain. JD Suever Y Chen JM McDonald Y Song, Biophys J 2008 95 5913 5921 10.1529/biophysj.108.130542 18820240
-
(2008)
Biophys J
, vol.95
, pp. 5913-5921
-
-
Suever, J.D.1
Chen, Y.2
McDonald, J.M.3
Song, Y.4
-
16
-
-
0026794065
-
Target enzyme recognition by calmodulin: 2.4 A structure of a calmodulin-peptide complex
-
10.1126/science.1519061. 1519061
-
Target enzyme recognition by calmodulin: 2.4 A structure of a calmodulin-peptide complex. WE Meador AR Means FA Quiocho, Science 1992 257 1251 1255 10.1126/science.1519061 1519061
-
(1992)
Science
, vol.257
, pp. 1251-1255
-
-
Meador, W.E.1
Means, A.R.2
Quiocho, F.A.3
-
17
-
-
0037165139
-
Structural basis for the activation of anthrax adenylyl cyclase exotoxin by calmodulin
-
DOI 10.1038/415396a
-
Structural basis for the activation of anthrax adenylyl cyclase exotoxin by calmodulin. CL Drum SZ Yan J Bard YQ Shen D Lu S Soelaiman Z Grabarek A Bohm WJ Tang, Nature 2002 415 396 402 10.1038/415396a 11807546 (Pubitemid 34100945)
-
(2002)
Nature
, vol.415
, Issue.6870
, pp. 396-402
-
-
Drum, C.L.1
Yan, S.-Z.2
Bard, J.3
Shen, Y.-Q.4
Lu, D.5
Soelaiman, S.6
Grabarek, Z.7
Bohm, A.8
Tang, W.-J.9
-
18
-
-
0037452521
-
C-terminal half of human centrin 2 behaves like a regulatory EF-hand domain
-
DOI 10.1021/bi0269714
-
C-terminal half of human centrin 2 behaves like a regulatory EF-hand domain. E Matei S Miron Y Blouquit P Duchambon I Durussel JA Cox CT Craescu, Biochemistry 2003 42 1439 1450 10.1021/bi0269714 12578356 (Pubitemid 36205950)
-
(2003)
Biochemistry
, vol.42
, Issue.6
, pp. 1439-1450
-
-
Matei, E.1
Miron, S.2
Blouquit, Y.3
Duchambon, P.4
Durussel, I.5
Cox, J.A.6
Craescu, C.T.7
-
20
-
-
62149107898
-
Calmodulin inhibitors from the fungus Emericella sp
-
10.1016/j.bmc.2008.10.079. 19013822
-
Calmodulin inhibitors from the fungus Emericella sp. M Figueroa C Gonzalez Mdel R Rodriguez-Sotres A Sosa-Peinado M Gonzalez-Andrade CM Cerda-Garcia-Rojas R Mata, Bioorg Med Chem 2009 17 2167 2174 10.1016/j.bmc.2008.10.079 19013822
-
(2009)
Bioorg Med Chem
, vol.17
, pp. 2167-2174
-
-
Figueroa, M.1
Gonzalez Mdel, C.2
Rodriguez-Sotres, R.3
Sosa-Peinado, A.4
Gonzalez-Andrade, M.5
Cerda-Garcia-Rojas, C.M.6
Mata, R.7
-
21
-
-
0037031146
-
Centrin-2 is required for centriole duplication in mammalian cells
-
DOI 10.1016/S0960-9822(02)01019-9, PII S0960982202010199
-
Centrin-2 is required for centriole duplication in mammalian cells. JL Salisbury KM Suino R Busby M S, Curr Biol 2002 12 1287 1292 10.1016/S0960- 9822(02)01019-9 12176356 (Pubitemid 34869878)
-
(2002)
Current Biology
, vol.12
, Issue.15
, pp. 1287-1292
-
-
Salisbury, J.L.1
Suino, K.M.2
Busby, R.3
Springett, M.4
-
22
-
-
0035374836
-
Centrosome protein centrin 2/caltractin 1 is part of the xeroderma pigmentosum group C complex that initiates global genome nucleotide excision repair
-
10.1074/jbc.M100855200. 11279143
-
Centrosome protein centrin 2/caltractin 1 is part of the xeroderma pigmentosum group C complex that initiates global genome nucleotide excision repair. M Araki C Masutani M Takemura A Uchida K Sugasawa J Kondoh Y Ohkuma F Hanaoka, J Biol Chem 2001 276 18665 18672 10.1074/jbc.M100855200 11279143
-
(2001)
J Biol Chem
, vol.276
, pp. 18665-18672
-
-
Araki, M.1
Masutani, C.2
Takemura, M.3
Uchida, A.4
Sugasawa, K.5
Kondoh, J.6
Ohkuma, Y.7
Hanaoka, F.8
-
23
-
-
40749091704
-
Centrin 2 localizes to the vertebrate nuclear pore and plays a role in mRNA and protein export
-
10.1128/MCB.01697-07
-
Centrin 2 localizes to the vertebrate nuclear pore and plays a role in mRNA and protein export. KK Resendes BA Rasala DJ Forbes, Moll Cel Biol 2008 28 1755 1769 10.1128/MCB.01697-07
-
(2008)
Moll Cel Biol
, vol.28
, pp. 1755-1769
-
-
Resendes, K.K.1
Rasala, B.A.2
Forbes, D.J.3
-
24
-
-
34748913817
-
Nucleotide excision repair pathway review I: Implications in ovarian cancer and platinum sensitivity
-
10.1016/j.ygyno.2007.07.043. 17884153
-
Nucleotide excision repair pathway review I: implications in ovarian cancer and platinum sensitivity. JS Saldivar X Wu M Follen D Gershenson, Gynecol Oncol 2007 107 56 71 10.1016/j.ygyno.2007.07.043 17884153
-
(2007)
Gynecol Oncol
, vol.107
, pp. 1956-71
-
-
Saldivar, J.S.1
Wu, X.2
Follen, M.3
Gershenson, D.4
-
25
-
-
20744446570
-
Centrin 2 stimulates nucleotide excision repair by interacting with xeroderma pigmentosum group C protein
-
DOI 10.1128/MCB.25.13.5664-5674.2005
-
Centrin 2 Stimulates Nucleotide Excision Repair by Interacting with Xeroderma Pigmentosum Group C Protein. R Nishi Y Okuda E Watanabe T Mori S Iwai C Masutani K Sugasawa F Hanaoka, Moll Cel Biol 2005 25 5664 5674 10.1128/MCB.25.13.5664-5674.2005 (Pubitemid 40853600)
-
(2005)
Molecular and Cellular Biology
, vol.25
, Issue.13
, pp. 5664-5674
-
-
Nishi, R.1
Okuda, Y.2
Watanabe, E.3
Mori, T.4
Iwai, S.5
Masutani, C.6
Sugasawa, K.7
Hanaoka, F.8
-
26
-
-
34848838861
-
Structural, Thermodynamic, and Cellular Characterization of Human Centrin 2 Interaction with Xeroderma Pigmentosum Group C Protein
-
DOI 10.1016/j.jmb.2007.08.046, PII S0022283607011175
-
Structural, thermodynamic, and cellular characterization of human centrin 2 interaction with xeroderma pigmentosum group C protein. JB Charbonnier E Renaud S Miron MH Le Du Y Blouquit P Duchambon P Christova A Shosheva T Rose JF Angulo CT Craescu, J Mol Biol 2007 373 1032 1046 10.1016/j.jmb.2007.08.046 17897675 (Pubitemid 47500171)
-
(2007)
Journal of Molecular Biology
, vol.373
, Issue.4
, pp. 1032-1046
-
-
Charbonnier, J.-B.1
Renaud, E.2
Miron, S.3
Le Du, M.H.4
Blouquit, Y.5
Duchambon, P.6
Christova, P.7
Shosheva, A.8
Rose, T.9
Angulo, J.F.10
Craescu, C.T.11
-
27
-
-
11144323163
-
Virtual screening of chemical libraries
-
DOI 10.1038/nature03197
-
Virtual screening of chemical libraries. BK Shoichet, Nature 2004 432 862 865 10.1038/nature03197 15602552 (Pubitemid 40037142)
-
(2004)
Nature
, vol.432
, Issue.7019
, pp. 862-865
-
-
Shoichet, B.K.1
-
28
-
-
34447524011
-
Structure-based virtual ligand screening with LigandFit: Pose prediction and enrichment of compound collections
-
DOI 10.1002/prot.21405
-
Structure-based virtual ligand screening with LigandFit: pose prediction and enrichment of compound collections. M Montes MA Miteva BO Villoutreix, Proteins 2007 68 712 725 10.1002/prot.21405 17510958 (Pubitemid 47068310)
-
(2007)
Proteins: Structure, Function and Genetics
, vol.68
, Issue.3
, pp. 712-725
-
-
Montes, M.1
Miteva, M.A.2
Villoutreix, B.O.3
-
30
-
-
41949132916
-
Flexible ligand docking to multiple receptor conformations: A practical alternative
-
10.1016/j.sbi.2008.01.004. 18302984
-
Flexible ligand docking to multiple receptor conformations: a practical alternative. M Totrov R Abagyan, Curr Opin Struct Biol 2008 18 178 184 10.1016/j.sbi.2008.01.004 18302984
-
(2008)
Curr Opin Struct Biol
, vol.18
, pp. 178-184
-
-
Totrov, M.1
Abagyan, R.2
-
31
-
-
61449106774
-
Principal component analysis of native ensembles of biomolecular structures (PCA-NEST): Insights into functional dynamics
-
10.1093/bioinformatics/btp023. 19147661
-
Principal component analysis of native ensembles of biomolecular structures (PCA-NEST): insights into functional dynamics. LW Yang E Eyal I Bahar A Kitao, Bioinformatics 2009 25 606 614 10.1093/bioinformatics/btp023 19147661
-
(2009)
Bioinformatics
, vol.25
, pp. 606-614
-
-
Yang, L.W.1
Eyal, E.2
Bahar, I.3
Kitao, A.4
-
32
-
-
21244479779
-
Unveiling the full potential of flexible receptor docking using multiple crystallographic structures
-
DOI 10.1021/jm048972v
-
Unveiling the full potential of flexible receptor docking using multiple crystallographic structures. X Barril SD Morley, J Med Chem 2005 48 4432 4443 10.1021/jm048972v 15974595 (Pubitemid 40884945)
-
(2005)
Journal of Medicinal Chemistry
, vol.48
, Issue.13
, pp. 4432-4443
-
-
Barril, X.1
Morley, S.D.2
-
33
-
-
34447271743
-
Exploring experimental sources of multiple protein conformations in structure-based drug design
-
DOI 10.1021/ja0709728
-
Exploring experimental sources of multiple protein conformations in structure-based drug design. KL Damm HA Carlson, J Am Chem Soc 2007 129 8225 8235 10.1021/ja0709728 17555316 (Pubitemid 47039084)
-
(2007)
Journal of the American Chemical Society
, vol.129
, Issue.26
, pp. 8225-8235
-
-
Damm, K.L.1
Carlson, H.A.2
-
34
-
-
75749093371
-
Recipes for the selection of experimental protein conformations for virtual screening
-
10.1021/ci9003943. 20000587
-
Recipes for the selection of experimental protein conformations for virtual screening. M Rueda G Bottegoni R Abagyan, J Chem Inf Model 2010 50 186 193 10.1021/ci9003943 20000587
-
(2010)
J Chem Inf Model
, vol.50
, pp. 186-193
-
-
Rueda, M.1
Bottegoni, G.2
Abagyan, R.3
-
35
-
-
0033135477
-
Docking of flexible ligands to flexible receptors in solution by molecular dynamics simulation
-
DOI 10.1002/(SICI)1097-0134(19990501)35:2<153::AID-PROT2>3.0.CO;2-E
-
Docking of flexible ligands to flexible receptors in solution by molecular dynamics simulation. M Mangoni D Roccatano A Di Nola, Proteins 1999 35 153 162 10.1002/(SICI)1097-0134(19990501)35:2<153::AID-PROT2 3.0.CO;2-E 10223288 (Pubitemid 29165129)
-
(1999)
Proteins: Structure, Function and Genetics
, vol.35
, Issue.2
, pp. 153-162
-
-
Mangoni, M.1
Roccatano, D.2
Di Nola, A.3
-
36
-
-
0037231646
-
The relaxed complex method: Accommodating receptor flexibility for drug design with an improved scoring scheme
-
DOI 10.1002/bip.10218
-
The relaxed complex method: Accommodating receptor flexibility for drug design with an improved scoring scheme. JH Lin AL Perryman JR Schames JA McCammon, Biopolymers 2003 68 47 62 10.1002/bip.10218 12579579 (Pubitemid 36098307)
-
(2003)
Biopolymers
, vol.68
, Issue.1
, pp. 47-62
-
-
Lin, J.-H.1
Perryman, A.L.2
Schames, J.R.3
McCammon, J.A.4
-
37
-
-
21644473891
-
Representing receptor flexibility in ligand docking through relevant normal modes
-
DOI 10.1021/ja042260c
-
Representing receptor flexibility in ligand docking through relevant normal modes. CN Cavasotto JA Kovacs RA Abagyan, J Am Chem Soc 2005 127 9632 9640 10.1021/ja042260c 15984891 (Pubitemid 40934775)
-
(2005)
Journal of the American Chemical Society
, vol.127
, Issue.26
, pp. 9632-9640
-
-
Cavasotto, C.N.1
Kovacs, J.A.2
Abagyan, R.A.3
-
38
-
-
48749126860
-
Insights into protein flexibility: The relationship between normal modes and conformational change upon protein-protein docking
-
10.1073/pnas.0802496105. 18641126
-
Insights into protein flexibility: The relationship between normal modes and conformational change upon protein-protein docking. SE Dobbins VI Lesk MJ Sternberg, Proc Natl Acad Sci USA 2008 105 10390 10395 10.1073/pnas.0802496105 18641126
-
(2008)
Proc Natl Acad Sci USA
, vol.105
, pp. 10390-10395
-
-
Dobbins, S.E.1
Lesk, V.I.2
Sternberg, M.J.3
-
39
-
-
77955627131
-
How to choose relevant multiple receptor conformations for virtual screening: A test case of Cdk2 and normal mode analysis
-
10.1007/s00249-010-0592-0. 20237920
-
How to choose relevant multiple receptor conformations for virtual screening: a test case of Cdk2 and normal mode analysis. O Sperandio L Mouawad E Pinto BO Villoutreix D Perahia MA Miteva, Eur Biophys J 2010 39 1365 1372 10.1007/s00249-010-0592-0 20237920
-
(2010)
Eur Biophys J
, vol.39
, pp. 1365-1372
-
-
Sperandio, O.1
Mouawad, L.2
Pinto, E.3
Villoutreix, B.O.4
Perahia, D.5
Miteva, M.A.6
-
40
-
-
60549086155
-
Four-dimensional docking: A fast and accurate account of discrete receptor flexibility in ligand docking
-
10.1021/jm8009958. 19090659
-
Four-dimensional docking: a fast and accurate account of discrete receptor flexibility in ligand docking. G Bottegoni I Kufareva M Totrov R Abagyan, J Med Chem 2009 52 397 406 10.1021/jm8009958 19090659
-
(2009)
J Med Chem
, vol.52
, pp. 397-406
-
-
Bottegoni, G.1
Kufareva, I.2
Totrov, M.3
Abagyan, R.4
-
41
-
-
57349156167
-
In pursuit of virtual lead optimization: The role of the receptor structure and ensembles in accurate docking
-
DOI 10.1002/prot.22081
-
In pursuit of virtual lead optimization: the role of the receptor structure and ensembles in accurate docking. ES Bolstad AC Anderson, Proteins 2008 73 566 580 10.1002/prot.22081 18473360 (Pubitemid 352788641)
-
(2008)
Proteins: Structure, Function and Genetics
, vol.73
, Issue.3
, pp. 566-580
-
-
Bolstad, E.S.D.1
Anderson, A.C.2
-
42
-
-
0034725043
-
Cation- and peptide-binding properties of human centrin 2
-
DOI 10.1016/S0014-5793(00)01452-6, PII S0014579300014526
-
Cation- and peptide-binding properties of human centrin 2. I Durussel Y Blouquit S Middendorp CT Craescu JA Cox, FEBS Lett 2000 472 208 212 10.1016/S0014-5793(00)01452-6 10788612 (Pubitemid 30224465)
-
(2000)
FEBS Letters
, vol.472
, Issue.2-3
, pp. 208-212
-
-
Durussel, I.1
Blouquit, Y.2
Middendorp, S.3
Craescu, C.T.4
Cox, J.A.5
-
43
-
-
0033592312
-
NMR solution structure of a complex of calmodulin with a binding peptide of the Ca2+ pump
-
10.1021/bi9908235. 10493800
-
NMR solution structure of a complex of calmodulin with a binding peptide of the Ca2+ pump. B Elshorst M Hennig H Forsterling A Diener M Maurer P Schulte H Schwalbe C Griesinger J Krebs H Schmid T Vorherr E Carafoli, Biochemistry 1999 38 12320 12332 10.1021/bi9908235 10493800
-
(1999)
Biochemistry
, vol.38
, pp. 12320-12332
-
-
Elshorst, B.1
Hennig, M.2
Forsterling, H.3
Diener, A.4
Maurer, M.5
Schulte, P.6
Schwalbe, H.7
Griesinger, C.8
Krebs, J.9
Schmid, H.10
Vorherr, T.11
Carafoli, E.12
-
44
-
-
33745868296
-
The structure of the human centrin 2-xeroderma pigmentosum group C protein complex
-
DOI 10.1074/jbc.M513667200
-
The structure of the human centrin 2-xeroderma pigmentosum group C protein complex. JR Thompson ZC Ryan JL Salisbury R Kumar, J Biol Chem 2006 281 18746 18752 10.1074/jbc.M513667200 16627479 (Pubitemid 44035535)
-
(2006)
Journal of Biological Chemistry
, vol.281
, Issue.27
, pp. 18746-18752
-
-
Thompson, J.R.1
Ryan, Z.C.2
Salisbury, J.L.3
Kumar, R.4
-
45
-
-
33845873363
-
Development and validation of a modular, extensible docking program: DOCK 5
-
DOI 10.1007/s10822-006-9060-4
-
Development and validation of a modular, extensible docking program: DOCK 5. DT Moustakas PT Lang S Pegg E Pettersen ID Kuntz N Brooijmans RC Rizzo, J Comput Aided Mol Des 2006 20 601 619 10.1007/s10822-006-9060-4 17149653 (Pubitemid 46023925)
-
(2006)
Journal of Computer-Aided Molecular Design
, vol.20
, Issue.10-11
, pp. 601-619
-
-
Moustakas, D.T.1
Lang, P.T.2
Pegg, S.3
Pettersen, E.4
Kuntz, I.D.5
Brooijmans, N.6
Rizzo, R.C.7
-
46
-
-
70450224069
-
Structure, dynamics and thermodynamics of the human centrin 2/hSfi1 complex
-
10.1016/j.jmb.2009.10.041. 19857500
-
Structure, dynamics and thermodynamics of the human centrin 2/hSfi1 complex. J Martinez-Sanz F Kateb L Assairi Y Blouquit G Bodenhausen D Abergel L Mouawad CT Craescu, J Mol Biol 2010 395 191 204 10.1016/j.jmb.2009.10.041 19857500
-
(2010)
J Mol Biol
, vol.395
, pp. 191-204
-
-
Martinez-Sanz, J.1
Kateb, F.2
Assairi, L.3
Blouquit, Y.4
Bodenhausen, G.5
Abergel, D.6
Mouawad, L.7
Craescu, C.T.8
-
47
-
-
0032929091
-
Substitution of the methionine residues of calmodulin with the unnatural amino acid analogs ethionine and norleucine: Biochemical and spectroscopic studies
-
Substitution of the methionine residues of calmodulin with the unnatural amino acid analogs ethionine and norleucine: biochemical and spectroscopic studies. T Yuan HJ Vogel, Protein Sci 1999 8 113 121 10210190 (Pubitemid 29035525)
-
(1999)
Protein Science
, vol.8
, Issue.1
, pp. 113-121
-
-
Yuan, T.1
Vogel, H.J.2
-
48
-
-
33645233083
-
Flexibility and plasticity of human centrin 2 binding to the xeroderma pigmentosum group C protein (XPC) from nuclear excision repair
-
10.1021/bi0524868. 16533048
-
Flexibility and plasticity of human centrin 2 binding to the xeroderma pigmentosum group C protein (XPC) from nuclear excision repair. A Yang S Miron L Mouawad P Duchambon Y Blouquit CT Craescu, Biochemistry 2006 45 3653 3663 10.1021/bi0524868 16533048
-
(2006)
Biochemistry
, vol.45
, pp. 3653-3663
-
-
Yang, A.1
Miron, S.2
Mouawad, L.3
Duchambon, P.4
Blouquit, Y.5
Craescu, C.T.6
-
49
-
-
67649422714
-
Fpocket: An open source platform for ligand pocket detection
-
10.1186/1471-2105-10-168. 19486540
-
Fpocket: an open source platform for ligand pocket detection. V Le Guilloux P Schmidtke P Tuffery, BMC Bioinformatics 2009 10 168 10.1186/1471-2105-10-168 19486540
-
(2009)
BMC Bioinformatics
, vol.10
, pp. 168
-
-
Le Guilloux, V.1
Schmidtke, P.2
Tuffery, P.3
-
50
-
-
33244490820
-
Physics-based scoring of protein - Ligand complexes: Enrichment of known inhibitors in large-scale virtual screening
-
DOI 10.1021/ci0502855
-
Physics-based scoring of protein-ligand complexes: enrichment of known inhibitors in large-scale virtual screening. N Huang C Kalyanaraman JJ Irwin MP Jacobson, J Chem Inf Model 2006 46 243 253 10.1021/ci0502855 16426060 (Pubitemid 43282119)
-
(2006)
Journal of Chemical Information and Modeling
, vol.46
, Issue.1
, pp. 243-253
-
-
Huang, N.1
Kalyanaraman, C.2
Irwin, J.J.3
Jacobson, M.P.4
-
51
-
-
77950862947
-
Post-docking virtual screening of diverse binding pockets: Comparative study using DOCK, AMMOS, X-Score and FRED scoring functions
-
10.1016/j.ejmech.2009.12.025. 20227800
-
Post-docking virtual screening of diverse binding pockets: comparative study using DOCK, AMMOS, X-Score and FRED scoring functions. T Pencheva OS Soumana I Pajeva MA Miteva, Eur J Med Chem 2010 45 2622 2628 10.1016/j.ejmech.2009.12.025 20227800
-
(2010)
Eur J Med Chem
, vol.45
, pp. 2622-2628
-
-
Pencheva, T.1
Soumana, O.S.2
Pajeva, I.3
Miteva, M.A.4
-
52
-
-
57049093235
-
AMMOS: Automated Molecular Mechanics Optimization tool for in silico Screening
-
10.1186/1471-2105-9-438. 18925937
-
AMMOS: Automated Molecular Mechanics Optimization tool for in silico Screening. T Pencheva D Lagorce I Pajeva BO Villoutreix MA Miteva, BMC Bioinformatics 2008 9 438 10.1186/1471-2105-9-438 18925937
-
(2008)
BMC Bioinformatics
, vol.9
, pp. 438
-
-
Pencheva, T.1
Lagorce, D.2
Pajeva, I.3
Villoutreix, B.O.4
Miteva, M.A.5
-
53
-
-
1442351132
-
Protein Flexibility in Ligand Docking and Virtual Screening to Protein Kinases
-
DOI 10.1016/j.jmb.2004.01.003
-
Protein flexibility in ligand docking and virtual screening to protein kinases. CN Cavasotto RA Abagyan, J Mol Biol 2004 337 209 225 10.1016/j.jmb.2004.01.003 15001363 (Pubitemid 38270258)
-
(2004)
Journal of Molecular Biology
, vol.337
, Issue.1
, pp. 209-225
-
-
Cavasotto, C.N.1
Abagyan, R.A.2
-
54
-
-
79959376227
-
-
X-Score. http://www.sioc-ccbg.ac.cn/software/xscore/
-
X-Score
-
-
-
55
-
-
45749095524
-
Investigation of MM-PBSA rescoring of docking poses
-
10.1021/ci700470c. 18465849
-
Investigation of MM-PBSA rescoring of docking poses. DC Thompson C Humblet D Joseph-McCarthy, J Chem Inf Model 2008 48 1081 1091 10.1021/ci700470c 18465849
-
(2008)
J Chem Inf Model
, vol.48
, pp. 1081-1091
-
-
Thompson, D.C.1
Humblet, C.2
Joseph-Mccarthy, D.3
-
56
-
-
0033954256
-
The Protein Data Bank
-
The Protein Data Bank. HM Berman J Westbrook Z Feng G Gilliland TN Bhat H Weissig IN Shindyalov PE Bourne, Nucleic Acids Res 2000 28 235 242 10.1093/nar/28.1.235 10592235 (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
-
58
-
-
42949129270
-
A Coupled Equilibrium Shift Mechanism in Calmodulin-Mediated Signal Transduction
-
DOI 10.1016/j.str.2008.02.017, PII S0969212608001317
-
A coupled equilibrium shift mechanism in calmodulin-mediated signal transduction. J Gsponer J Christodoulou A Cavalli JM Bui B Richter CM Dobson M Vendruscolo, Structure 2008 16 736 746 10.1016/j.str.2008.02.017 18462678 (Pubitemid 351615020)
-
(2008)
Structure
, vol.16
, Issue.5
, pp. 736-746
-
-
Gsponer, J.1
Christodoulou, J.2
Cavalli, A.3
Bui, J.M.4
Richter, B.5
Dobson, C.M.6
Vendruscolo, M.7
-
59
-
-
23144448279
-
PCE: Web tools to compute protein continuum electrostatics
-
10.1093/nar/gki365. 15980492
-
PCE: web tools to compute protein continuum electrostatics. MA Miteva P Tuffery BO Villoutreix, Nucleic Acids Res 2005 33 372 375 10.1093/nar/gki365 15980492
-
(2005)
Nucleic Acids Res
, vol.33
, pp. 23372-375
-
-
Miteva, M.A.1
Tuffery, P.2
Villoutreix, B.O.3
-
60
-
-
4444221565
-
UCSF Chimera - A visualization system for exploratory research and analysis
-
10.1002/jcc.20084. 15264254
-
UCSF Chimera - a visualization system for exploratory research and analysis. EF Pettersen TD Goddard CC Huang GS Couch DM Greenblatt EC Meng TE Ferrin, J Comput Chem 2004 25 1605 1612 10.1002/jcc.20084 15264254
-
(2004)
J Comput Chem
, vol.25
, pp. 1605-1612
-
-
Pettersen, E.F.1
Goddard, T.D.2
Huang, C.C.3
Couch, G.S.4
Greenblatt, D.M.5
Meng, E.C.6
Ferrin, T.E.7
-
61
-
-
79959374334
-
-
DMS. http://www.cgl.ucsf.edu/Overview/software.html#dms
-
DMS
-
-
-
62
-
-
43049146552
-
MS-DOCK: Accurate multiple conformation generator and rigid docking protocol for multi-step virtual ligand screening
-
10.1186/1471-2105-9-184. 18402678
-
MS-DOCK: Accurate multiple conformation generator and rigid docking protocol for multi-step virtual ligand screening. N Sauton D Lagorce BO Villoutreix MA Miteva, BMC Bioinformatics 2008 9 184 10.1186/1471-2105-9-184 18402678
-
(2008)
BMC Bioinformatics
, vol.9
, pp. 184
-
-
Sauton, N.1
Lagorce, D.2
Villoutreix, B.O.3
Miteva, M.A.4
-
63
-
-
0023936327
-
Using shape complementarity as an initial screen in designing ligands for a receptor binding site of known three-dimensional structure
-
Using shape complementarity as an initial screen in designing ligands for a receptor binding site of known three-dimensional structure. RL DesJarlais RP Sheridan GL Seibel JS Dixon ID Kuntz R Venkataraghavan, J Med Chem 1988 31 722 729 10.1021/jm00399a006 3127588 (Pubitemid 18097087)
-
(1988)
Journal of Medicinal Chemistry
, vol.31
, Issue.4
, pp. 722-729
-
-
DesJarlais, R.L.1
Sheridan, R.P.2
Seibel, G.L.3
Dixon, J.S.4
Kuntz, I.D.5
Venkataraghavan, R.6
-
64
-
-
72749127604
-
DG-AMMOS: A New tool to generate 3D conformation of small molecules using Distance Geometry and Automated Molecular Mechanics Optimization for in silico Screening
-
10.1186/1472-6769-9-6. 19912625
-
DG-AMMOS: A New tool to generate 3D conformation of small molecules using Distance Geometry and Automated Molecular Mechanics Optimization for in silico Screening. D Lagorce T Pencheva BO Villoutreix MA Miteva, BMC Chem Biol 2009 9 6 10.1186/1472-6769-9-6 19912625
-
(2009)
BMC Chem Biol
, vol.9
, pp. 6
-
-
Lagorce, D.1
Pencheva, T.2
Villoutreix, B.O.3
Miteva, M.A.4
-
65
-
-
0032560959
-
Continuum solvent studies of the stability of DNA, RNA, and phosphoramidate-DNA helices
-
DOI 10.1021/ja981844+
-
Continuum solvent studies of the stability of DNA, RNA, and phosphoramidate - DNA helices. J Srinivasan TE Cheatham P Cieplak PA Kollman DA Case, J am Chem Soc 1998 120 9401 9409 10.1021/ja981844+ (Pubitemid 28452628)
-
(1998)
Journal of the American Chemical Society
, vol.120
, Issue.37
, pp. 9401-9409
-
-
Srinivasan, J.1
Cheatham III, T.E.2
Cieplak, P.3
Kollman, P.A.4
Case, D.A.5
-
66
-
-
0036022960
-
Further development and validation of empirical scoring functions for structure-based binding affinity prediction
-
DOI 10.1023/A:1016357811882
-
Further development and validation of empirical scoring functions for structure-based binding affinity prediction. R Wang L Lai S Wang, J Comput Aided Mol Des 2002 16 11 26 10.1023/A:1016357811882 12197663 (Pubitemid 34855041)
-
(2002)
Journal of Computer-Aided Molecular Design
, vol.16
, Issue.1
, pp. 11-26
-
-
Wang, R.1
Lai, L.2
Wang, S.3
-
67
-
-
33749641136
-
The PyMOL Molecular Graphics System
-
The PyMOL Molecular Graphics System. WL Delano, DeLano Scientific 2002
-
(2002)
DeLano Scientific
-
-
Delano, W.L.1
|