-
1
-
-
84890950148
-
Extra-Intestinal and Long Term Consequences of Giardia Duodenalis Infections
-
Halliez, M. C.; Buret, A. G. Extra-Intestinal and Long Term Consequences of Giardia Duodenalis Infections World J. Gastroenterol 2013, 19, 8974-8985 10.3748/wjg.v19.i47.8974
-
(2013)
World J. Gastroenterol
, vol.19
, pp. 8974-8985
-
-
Halliez, M.C.1
Buret, A.G.2
-
2
-
-
79551695995
-
Giardiasis: The Ever-Present Threat of a Neglected Disease
-
Escobedo, A. A.; Almirall, P.; Robertson, L. J.; Franco, R. M.; Hanevik, K.; Morch, K.; Cimerman, S. Giardiasis: The Ever-Present Threat of a Neglected Disease Infect. Disord.: Drug Targets 2010, 10, 329-348 10.2174/187152610793180821
-
(2010)
Infect. Disord.: Drug Targets
, vol.10
, pp. 329-348
-
-
Escobedo, A.A.1
Almirall, P.2
Robertson, L.J.3
Franco, R.M.4
Hanevik, K.5
Morch, K.6
Cimerman, S.7
-
3
-
-
77958526575
-
Giardiasis in the Post Genomic Era: Treatment, Drug Resistance and Novel Therapeutic Perspectives
-
Lalle, M. Giardiasis in the Post Genomic Era: Treatment, Drug Resistance and Novel Therapeutic Perspectives Infect. Disord.: Drug Targets 2010, 10, 283-294 10.2174/187152610791591610
-
(2010)
Infect. Disord.: Drug Targets
, vol.10
, pp. 283-294
-
-
Lalle, M.1
-
4
-
-
84938243230
-
Surfing the Protein-Protein Interaction Surface Using Docking Methods: Application to the Design of Ppi Inhibitors
-
Sable, R.; Jois, S. Surfing the Protein-Protein Interaction Surface Using Docking Methods: Application to the Design of Ppi Inhibitors Molecules 2015, 20, 11569-11603 10.3390/molecules200611569
-
(2015)
Molecules
, vol.20
, pp. 11569-11603
-
-
Sable, R.1
Jois, S.2
-
5
-
-
84902786420
-
Drug-Like Protein-Protein Interaction Modulators: Challenges and Opportunities for Drug Discovery and Chemical Biology
-
Villoutreix, B. O.; Kuenemann, M. A.; Poyet, J. L.; Bruzzoni-Giovanelli, H.; Labbe, C.; Lagorce, D.; Sperandio, O.; Miteva, M. A. Drug-Like Protein-Protein Interaction Modulators: Challenges and Opportunities for Drug Discovery and Chemical Biology Mol. Inf. 2014, 33, 414-437 10.1002/minf.201400040
-
(2014)
Mol. Inf.
, vol.33
, pp. 414-437
-
-
Villoutreix, B.O.1
Kuenemann, M.A.2
Poyet, J.L.3
Bruzzoni-Giovanelli, H.4
Labbe, C.5
Lagorce, D.6
Sperandio, O.7
Miteva, M.A.8
-
6
-
-
84886315105
-
Small Molecules Modulation of 14-3-3 Protein-Protein Interactions
-
Mori, M.; Vignaroli, G.; Botta, M. Small Molecules Modulation of 14-3-3 Protein-Protein Interactions Drug Discovery Today: Technol. 2013, 10, e541-e547 10.1016/j.ddtec.2012.10.001
-
(2013)
Drug Discovery Today: Technol.
, vol.10
, pp. e541-e547
-
-
Mori, M.1
Vignaroli, G.2
Botta, M.3
-
7
-
-
80054723464
-
Computational Techniques Are Valuable Tools for the Discovery of Protein-Protein Interaction Inhibitors: The 14-3-3sigma Case
-
Corradi, V.; Mancini, M.; Santucci, M. A.; Carlomagno, T.; Sanfelice, D.; Mori, M.; Vignaroli, G.; Falchi, F.; Manetti, F.; Radi, M.; Botta, M. Computational Techniques Are Valuable Tools for the Discovery of Protein-Protein Interaction Inhibitors: The 14-3-3sigma Case Bioorg. Med. Chem. Lett. 2011, 21, 6867-6871 10.1016/j.bmcl.2011.09.011
-
(2011)
Bioorg. Med. Chem. Lett.
, vol.21
, pp. 6867-6871
-
-
Corradi, V.1
Mancini, M.2
Santucci, M.A.3
Carlomagno, T.4
Sanfelice, D.5
Mori, M.6
Vignaroli, G.7
Falchi, F.8
Manetti, F.9
Radi, M.10
Botta, M.11
-
8
-
-
82055192318
-
Targeting Protein-Protein and Protein-Nucleic Acid Interactions for Anti-HIV Therapy
-
Mori, M.; Manetti, F.; Botta, M. Targeting Protein-Protein and Protein-Nucleic Acid Interactions for Anti-Hiv Therapy Curr. Pharm. Des. 2011, 17, 3713-3728 10.2174/138161211798220972
-
(2011)
Curr. Pharm. Des.
, vol.17
, pp. 3713-3728
-
-
Mori, M.1
Manetti, F.2
Botta, M.3
-
9
-
-
84899975034
-
Discovery of 14-3-3 Protein-Protein Interaction Inhibitors That Sensitize Multidrug-Resistant Cancer Cells to Doxorubicin and the Akt Inhibitor Gsk690693
-
Mori, M.; Vignaroli, G.; Cau, Y.; Dinic, J.; Hill, R.; Rossi, M.; Colecchia, D.; Pesic, M.; Link, W.; Chiariello, M.; Ottmann, C.; Botta, M. Discovery of 14-3-3 Protein-Protein Interaction Inhibitors That Sensitize Multidrug-Resistant Cancer Cells to Doxorubicin and the Akt Inhibitor Gsk690693 ChemMedChem 2014, 9, 973-983 10.1002/cmdc.201400044
-
(2014)
ChemMedChem
, vol.9
, pp. 973-983
-
-
Mori, M.1
Vignaroli, G.2
Cau, Y.3
Dinic, J.4
Hill, R.5
Rossi, M.6
Colecchia, D.7
Pesic, M.8
Link, W.9
Chiariello, M.10
Ottmann, C.11
Botta, M.12
-
10
-
-
34848859256
-
Theoretical Study on Binding of S100b Protein
-
Gieldon, A.; Mori, M.; Del Conte, R. Theoretical Study on Binding of S100b Protein J. Mol. Model. 2007, 13, 1123-1131 10.1007/s00894-007-0231-6
-
(2007)
J. Mol. Model.
, vol.13
, pp. 1123-1131
-
-
Gieldon, A.1
Mori, M.2
Del Conte, R.3
-
11
-
-
49649114644
-
Fragment Docking to S100 Proteins Reveals a Wide Diversity of Weak Interaction Sites
-
Arendt, Y.; Bhaumik, A.; Del Conte, R.; Luchinat, C.; Mori, M.; Porcu, M. Fragment Docking to S100 Proteins Reveals a Wide Diversity of Weak Interaction Sites ChemMedChem 2007, 2, 1648-1654 10.1002/cmdc.200700096
-
(2007)
ChemMedChem
, vol.2
, pp. 1648-1654
-
-
Arendt, Y.1
Bhaumik, A.2
Del Conte, R.3
Luchinat, C.4
Mori, M.5
Porcu, M.6
-
12
-
-
84941930903
-
Hit Recycling: Discovery of a Potent Carbonic Anhydrase Inhibitor by in Silico Target Fishing
-
Mori, M.; Cau, Y.; Vignaroli, G.; Laurenzana, I.; Caivano, A.; Vullo, D.; Supuran, C. T.; Botta, M. Hit Recycling: Discovery of a Potent Carbonic Anhydrase Inhibitor by in Silico Target Fishing ACS Chem. Biol. 2015, 10, 1964-1969 10.1021/acschembio.5b00337
-
(2015)
ACS Chem. Biol.
, vol.10
, pp. 1964-1969
-
-
Mori, M.1
Cau, Y.2
Vignaroli, G.3
Laurenzana, I.4
Caivano, A.5
Vullo, D.6
Supuran, C.T.7
Botta, M.8
-
13
-
-
84942929764
-
Modelling the Molecular Mechanism of Protein-Protein Interactions and Their Inhibition: Cypd-P53 Case Study
-
Fayaz, S. M.; Rajanikant, G. K. Modelling the Molecular Mechanism of Protein-Protein Interactions and Their Inhibition: Cypd-P53 Case Study Mol. Diversity 2015, 19, 931-943 10.1007/s11030-015-9612-4
-
(2015)
Mol. Diversity
, vol.19
, pp. 931-943
-
-
Fayaz, S.M.1
Rajanikant, G.K.2
-
14
-
-
84912041026
-
Protein-Protein Interaction Modulator Drug Discovery: Past Efforts and Future Opportunities Using a Rich Source of Low- and High-Throughput Screening Assays
-
Gul, S.; Hadian, K. Protein-Protein Interaction Modulator Drug Discovery: Past Efforts and Future Opportunities Using a Rich Source of Low- and High-Throughput Screening Assays Expert Opin. Drug Discovery 2014, 9, 1393-1404 10.1517/17460441.2014.954544
-
(2014)
Expert Opin. Drug Discovery
, vol.9
, pp. 1393-1404
-
-
Gul, S.1
Hadian, K.2
-
15
-
-
84930348435
-
Targeting Protein-Protein Interactions in Hematologic Malignancies: Still a Challenge or a Great Opportunity for Future Therapies?
-
Cierpicki, T.; Grembecka, J. Targeting Protein-Protein Interactions in Hematologic Malignancies: Still a Challenge or a Great Opportunity for Future Therapies? Immunol Rev. 2015, 263, 279-301 10.1111/imr.12244
-
(2015)
Immunol Rev.
, vol.263
, pp. 279-301
-
-
Cierpicki, T.1
Grembecka, J.2
-
16
-
-
84941756717
-
A Review of in Silico Approaches for Analysis and Prediction of HIV-1-Human Protein-Protein Interactions
-
Bandyopadhyay, S.; Ray, S.; Mukhopadhyay, A.; Maulik, U. A Review of in Silico Approaches for Analysis and Prediction of Hiv-1-Human Protein-Protein Interactions Briefings Bioinf. 2015, 16, 830-851 10.1093/bib/bbu041
-
(2015)
Briefings Bioinf.
, vol.16
, pp. 830-851
-
-
Bandyopadhyay, S.1
Ray, S.2
Mukhopadhyay, A.3
Maulik, U.4
-
17
-
-
84894431432
-
Constrained Peptides with Target-Adapted Cross-Links as Inhibitors of a Pathogenic Protein-Protein Interaction
-
Glas, A.; Bier, D.; Hahne, G.; Rademacher, C.; Ottmann, C.; Grossmann, T. N. Constrained Peptides with Target-Adapted Cross-Links as Inhibitors of a Pathogenic Protein-Protein Interaction Angew. Chem., Int. Ed. 2014, 53, 2489-2493 10.1002/anie.201310082
-
(2014)
Angew. Chem., Int. Ed.
, vol.53
, pp. 2489-2493
-
-
Glas, A.1
Bier, D.2
Hahne, G.3
Rademacher, C.4
Ottmann, C.5
Grossmann, T.N.6
-
18
-
-
80455122653
-
14-3-3 Proteins as Potential Therapeutic Targets
-
Zhao, J.; Meyerkord, C. L.; Du, Y.; Khuri, F. R.; Fu, H. 14-3-3 Proteins as Potential Therapeutic Targets Semin. Cell Dev. Biol. 2011, 22, 705-712 10.1016/j.semcdb.2011.09.012
-
(2011)
Semin. Cell Dev. Biol.
, vol.22
, pp. 705-712
-
-
Zhao, J.1
Meyerkord, C.L.2
Du, Y.3
Khuri, F.R.4
Fu, H.5
-
19
-
-
77956943427
-
Identification of the First Non-Peptidic Small Molecule Inhibitor of the C-Abl/14-3-3 Protein-Protein Interactions Able to Drive Sensitive and Imatinib-Resistant Leukemia Cells to Apoptosis
-
Corradi, V.; Mancini, M.; Manetti, F.; Petta, S.; Santucci, M. A.; Botta, M. Identification of the First Non-Peptidic Small Molecule Inhibitor of the C-Abl/14-3-3 Protein-Protein Interactions Able to Drive Sensitive and Imatinib-Resistant Leukemia Cells to Apoptosis Bioorg. Med. Chem. Lett. 2010, 20, 6133-6137 10.1016/j.bmcl.2010.08.019
-
(2010)
Bioorg. Med. Chem. Lett.
, vol.20
, pp. 6133-6137
-
-
Corradi, V.1
Mancini, M.2
Manetti, F.3
Petta, S.4
Santucci, M.A.5
Botta, M.6
-
20
-
-
79951985419
-
A New Nonpeptidic Inhibitor of 14-3-3 Induces Apoptotic Cell Death in Chronic Myeloid Leukemia Sensitive or Resistant to Imatinib
-
Mancini, M.; Corradi, V.; Petta, S.; Barbieri, E.; Manetti, F.; Botta, M.; Santucci, M. A. A New Nonpeptidic Inhibitor of 14-3-3 Induces Apoptotic Cell Death in Chronic Myeloid Leukemia Sensitive or Resistant to Imatinib J. Pharmacol. Exp. Ther. 2011, 336, 596-604 10.1124/jpet.110.172536
-
(2011)
J. Pharmacol. Exp. Ther.
, vol.336
, pp. 596-604
-
-
Mancini, M.1
Corradi, V.2
Petta, S.3
Barbieri, E.4
Manetti, F.5
Botta, M.6
Santucci, M.A.7
-
21
-
-
0031470652
-
The Structural Basis for 14-3-3:Phosphopeptide Binding Specificity
-
Yaffe, M. B.; Rittinger, K.; Volinia, S.; Caron, P. R.; Aitken, A.; Leffers, H.; Gamblin, S. J.; Smerdon, S. J.; Cantley, L. C. The Structural Basis for 14-3-3:Phosphopeptide Binding Specificity Cell 1997, 91, 961-971 10.1016/S0092-8674(00)80487-0
-
(1997)
Cell
, vol.91
, pp. 961-971
-
-
Yaffe, M.B.1
Rittinger, K.2
Volinia, S.3
Caron, P.R.4
Aitken, A.5
Leffers, H.6
Gamblin, S.J.7
Smerdon, S.J.8
Cantley, L.C.9
-
22
-
-
33344470872
-
C-Terminal Binding: An Expanded Repertoire and Function of 14-3-3 Proteins
-
Coblitz, B.; Wu, M.; Shikano, S.; Li, M. C-Terminal Binding: An Expanded Repertoire and Function of 14-3-3 Proteins FEBS Lett. 2006, 580, 1531-1535 10.1016/j.febslet.2006.02.014
-
(2006)
FEBS Lett.
, vol.580
, pp. 1531-1535
-
-
Coblitz, B.1
Wu, M.2
Shikano, S.3
Li, M.4
-
23
-
-
33646926129
-
14-3-3 Proteins: A Historic Overview
-
Aitken, A. 14-3-3 Proteins: A Historic Overview Semin. Cancer Biol. 2006, 16, 162-172 10.1016/j.semcancer.2006.03.005
-
(2006)
Semin. Cancer Biol.
, vol.16
, pp. 162-172
-
-
Aitken, A.1
-
24
-
-
80455154960
-
Structural Basis of 14-3-3 Protein Functions
-
Obsil, T.; Obsilova, V. Structural Basis of 14-3-3 Protein Functions Semin. Cell Dev. Biol. 2011, 22, 663-672 10.1016/j.semcdb.2011.09.001
-
(2011)
Semin. Cell Dev. Biol.
, vol.22
, pp. 663-672
-
-
Obsil, T.1
Obsilova, V.2
-
25
-
-
33646173274
-
The Giardia Duodenalis 14-3-3 Protein Is Post-Translationally Modified by Phosphorylation and Polyglycylation of the C-Terminal Tail
-
Lalle, M.; Salzano, A. M.; Crescenzi, M.; Pozio, E. The Giardia Duodenalis 14-3-3 Protein Is Post-Translationally Modified by Phosphorylation and Polyglycylation of the C-Terminal Tail J. Biol. Chem. 2006, 281, 5137-5148 10.1074/jbc.M509673200
-
(2006)
J. Biol. Chem.
, vol.281
, pp. 5137-5148
-
-
Lalle, M.1
Salzano, A.M.2
Crescenzi, M.3
Pozio, E.4
-
26
-
-
84860631021
-
Interaction Network of the 14-3-3 Protein in the Ancient Protozoan Parasite Giardia Duodenalis
-
Lalle, M.; Camerini, S.; Cecchetti, S.; Sayadi, A.; Crescenzi, M.; Pozio, E. Interaction Network of the 14-3-3 Protein in the Ancient Protozoan Parasite Giardia Duodenalis J. Proteome Res. 2012, 11, 2666-2683 10.1021/pr3000199
-
(2012)
J. Proteome Res.
, vol.11
, pp. 2666-2683
-
-
Lalle, M.1
Camerini, S.2
Cecchetti, S.3
Sayadi, A.4
Crescenzi, M.5
Pozio, E.6
-
27
-
-
73749084774
-
Involvement of 14-3-3 Protein Post-Translational Modifications in Giardia Duodenalis Encystation
-
Lalle, M.; Bavassano, C.; Fratini, F.; Cecchetti, S.; Boisguerin, P.; Crescenzi, M.; Pozio, E. Involvement of 14-3-3 Protein Post-Translational Modifications in Giardia Duodenalis Encystation Int. J. Parasitol. 2010, 40, 201-213 10.1016/j.ijpara.2009.07.010
-
(2010)
Int. J. Parasitol.
, vol.40
, pp. 201-213
-
-
Lalle, M.1
Bavassano, C.2
Fratini, F.3
Cecchetti, S.4
Boisguerin, P.5
Crescenzi, M.6
Pozio, E.7
-
28
-
-
84885401237
-
Interkingdom Complementation Reveals Structural Conservation and Functional Divergence of 14-3-3 Proteins
-
Lalle, M.; Leptourgidou, F.; Camerini, S.; Pozio, E.; Skoulakis, E. M. Interkingdom Complementation Reveals Structural Conservation and Functional Divergence of 14-3-3 Proteins PLoS One 2013, 8, e78090 10.1371/journal.pone.0078090
-
(2013)
PLoS One
, vol.8
, pp. e78090
-
-
Lalle, M.1
Leptourgidou, F.2
Camerini, S.3
Pozio, E.4
Skoulakis, E.M.5
-
29
-
-
84899072734
-
The Crystal Structure of Giardia Duodenalis 14-3-3 in the Apo Form: When Protein Post-Translational Modifications Make the Difference
-
Fiorillo, A.; di Marino, D.; Bertuccini, L.; Via, A.; Pozio, E.; Camerini, S.; Ilari, A.; Lalle, M. The Crystal Structure of Giardia Duodenalis 14-3-3 in the Apo Form: When Protein Post-Translational Modifications Make the Difference PLoS One 2014, 9, e92902 10.1371/journal.pone.0092902
-
(2014)
PLoS One
, vol.9
, pp. e92902
-
-
Fiorillo, A.1
Di Marino, D.2
Bertuccini, L.3
Via, A.4
Pozio, E.5
Camerini, S.6
Ilari, A.7
Lalle, M.8
-
30
-
-
0041312686
-
14-3-3s Regulate Fructose-2,6-Bisphosphate Levels by Binding to Pkb-Phosphorylated Cardiac Fructose-2,6-Bisphosphate Kinase/Phosphatase
-
Pozuelo Rubio, M.; Peggie, M.; Wong, B. H. C.; Morrice, N.; MacKintosh, C. 14-3-3s Regulate Fructose-2,6-Bisphosphate Levels by Binding to Pkb-Phosphorylated Cardiac Fructose-2,6-Bisphosphate Kinase/Phosphatase EMBO J. 2003, 22, 3514-3523 10.1093/emboj/cdg363
-
(2003)
EMBO J.
, vol.22
, pp. 3514-3523
-
-
Pozuelo Rubio, M.1
Peggie, M.2
Wong, B.H.C.3
Morrice, N.4
MacKintosh, C.5
-
31
-
-
0031059866
-
Processing of X-Ray Diffraction Data Collected in Oscillation Mode
-
Otwinowski, Z.; Minor, W. Processing of X-Ray Diffraction Data Collected in Oscillation Mode Methods Enzymol. 1997, 276, 307-326 10.1016/S0076-6879(97)76066-X
-
(1997)
Methods Enzymol.
, vol.276
, pp. 307-326
-
-
Otwinowski, Z.1
Minor, W.2
-
32
-
-
79953737180
-
Overview of the Ccp4 Suite and Current Developments
-
Winn, M. D.; Ballard, C. C.; Cowtan, K. D.; Dodson, E. J.; Emsley, P.; Evans, P. R.; Keegan, R. M.; Krissinel, E. B.; Leslie, A. G. W.; McCoy, A.; McNicholas, S. J.; Murshudov, G. N.; Pannu, N. S.; Potterton, E. A.; Powell, H. R.; Read, R. J.; Vagin, A.; Wilson, K. S. Overview of the Ccp4 Suite and Current Developments Acta Crystallogr., Sect. D: Biol. Crystallogr. 2011, 67, 235-242 10.1107/S0907444910045749
-
(2011)
Acta Crystallogr., Sect. D: Biol. Crystallogr.
, vol.67
, pp. 235-242
-
-
Winn, M.D.1
Ballard, C.C.2
Cowtan, K.D.3
Dodson, E.J.4
Emsley, P.5
Evans, P.R.6
Keegan, R.M.7
Krissinel, E.B.8
Leslie, A.G.W.9
McCoy, A.10
McNicholas, S.J.11
Murshudov, G.N.12
Pannu, N.S.13
Potterton, E.A.14
Powell, H.R.15
Read, R.J.16
Vagin, A.17
Wilson, K.S.18
-
34
-
-
34447508216
-
Phaser Crystallographic Software
-
McCoy, A. J.; Grosse-Kunstleve, R. W.; Adams, P. D.; Winn, M. D.; Storoni, L. C.; Read, R. J. Phaser Crystallographic Software J. Appl. Crystallogr. 2007, 40, 658-674 10.1107/S0021889807021206
-
(2007)
J. Appl. Crystallogr.
, vol.40
, pp. 658-674
-
-
McCoy, A.J.1
Grosse-Kunstleve, R.W.2
Adams, P.D.3
Winn, M.D.4
Storoni, L.C.5
Read, R.J.6
-
35
-
-
77949535720
-
Features and Development of Coot
-
Emsley, P.; Lohkamp, B.; Scott, W. G.; Cowtan, K. Features and Development of Coot Acta Crystallogr., Sect. D: Biol. Crystallogr. 2010, 66, 486-501 10.1107/S0907444910007493
-
(2010)
Acta Crystallogr., Sect. D: Biol. Crystallogr.
, vol.66
, pp. 486-501
-
-
Emsley, P.1
Lohkamp, B.2
Scott, W.G.3
Cowtan, K.4
-
36
-
-
0030924992
-
Refinement of Macromolecular Structures by the Maximum-Likelihood Method
-
Murshudov, G. N.; Vagin, A. A.; Dodson, E. J. Refinement of Macromolecular Structures by the Maximum-Likelihood Method Acta Crystallogr., Sect. D: Biol. Crystallogr. 1997, 53, 240-55 10.1107/S0907444996012255
-
(1997)
Acta Crystallogr., Sect. D: Biol. Crystallogr.
, vol.53
, pp. 240-255
-
-
Murshudov, G.N.1
Vagin, A.A.2
Dodson, E.J.3
-
38
-
-
0345659206
-
Significance of 14-3-3 Self-Dimerization for Phosphorylation-Dependent Target Binding
-
Shen, Y. H.; Godlewski, J.; Bronisz, A.; Zhu, J.; Comb, M. J.; Avruch, J.; Tzivion, G. Significance of 14-3-3 Self-Dimerization for Phosphorylation-Dependent Target Binding Mol. Biol. Cell 2003, 14, 4721-4733 10.1091/mbc.E02-12-0821
-
(2003)
Mol. Biol. Cell
, vol.14
, pp. 4721-4733
-
-
Shen, Y.H.1
Godlewski, J.2
Bronisz, A.3
Zhu, J.4
Comb, M.J.5
Avruch, J.6
Tzivion, G.7
-
39
-
-
84862614975
-
-
University of California: San Francisco
-
Case, D. A.; Babin, V.; Berryman, J. T.; Betz, R. M.; Cai, Q.; Cerutti, D. S.; Cheatham, T. E., III; Darden, T. A.; Duke, R. E.; Gohlke, H.; Goetz, A. W.; Gusarov, S.; Homeyer, N.; Janowski, P.; Kaus, J.; Kolossváry, I.; Kovalenko, A.; Lee, T. S.; LeGrand, S.; Luchko, T.; Luo, R.; Madej, B.; Merz, K. M.; Paesani, F.; Roe, D. R.; Roitberg, A.; Sagui, C.; Salomon-Ferrer, R.; Seabra, G.; Simmerling, C. L.; Smith, W.; Swails, J.; Walker, R. C.; Wang, J.; Wolf, R. M.; Wu, X.; Kollman, P. A. Amber 12; University of California: San Francisco, 2012.
-
(2012)
Amber 12
-
-
Case, D.A.1
Babin, V.2
Berryman, J.T.3
Betz, R.M.4
Cai, Q.5
Cerutti, D.S.6
Cheatham, C.E.7
Darden, T.A.8
Duke, R.E.9
Gohlke, H.10
Goetz, A.W.11
Gusarov, S.12
Homeyer, N.13
Janowski, P.14
Kaus, J.15
Kolossváry, I.16
Kovalenko, A.17
Lee, T.S.18
LeGrand, S.19
Luchko, T.20
Luo, R.21
Madej, B.22
Merz, K.M.23
Paesani, F.24
Roe, D.R.25
Roitberg, A.26
Sagui, C.27
Salomon-Ferrer, R.28
Seabra, G.29
Simmerling, C.L.30
Smith, W.31
Swails, J.32
Walker, R.C.33
Wang, J.34
Wolf, R.M.35
Wu, X.36
Kollman, P.A.37
more..
-
40
-
-
33748518255
-
Comparison of Multiple Amber Force Fields and Development of Improved Protein Backbone Parameters
-
Hornak, V.; Abel, R.; Okur, A.; Strockbine, B.; Roitberg, A.; Simmerling, C. Comparison of Multiple Amber Force Fields and Development of Improved Protein Backbone Parameters Proteins: Struct., Funct., Genet. 2006, 65, 712-725 10.1002/prot.21123
-
(2006)
Proteins: Struct., Funct., Genet.
, vol.65
, pp. 712-725
-
-
Hornak, V.1
Abel, R.2
Okur, A.3
Strockbine, B.4
Roitberg, A.5
Simmerling, C.6
-
41
-
-
33644753023
-
Amber Force-Field Parameters for Phosphorylated Amino Acids in Different Protonation States: Phosphoserine, Phosphothreonine, Phosphotyrosine, and Phosphohistidine
-
Homeyer, N.; Horn, A. H.; Lanig, H.; Sticht, H. Amber Force-Field Parameters for Phosphorylated Amino Acids in Different Protonation States: Phosphoserine, Phosphothreonine, Phosphotyrosine, and Phosphohistidine J. Mol. Model. 2006, 12, 281-289 10.1007/s00894-005-0028-4
-
(2006)
J. Mol. Model.
, vol.12
, pp. 281-289
-
-
Homeyer, N.1
Horn, A.H.2
Lanig, H.3
Sticht, H.4
-
42
-
-
0004016501
-
Comparison of Simple Potential Functions for Simulating Liquid Water
-
Jorgensen, W. L.; Chandrasekhar, J.; Madura, J. D.; Impey, R. W.; Klein, M. L. Comparison of Simple Potential Functions for Simulating Liquid Water J. Chem. Phys. 1983, 79, 926-935 10.1063/1.445869
-
(1983)
J. Chem. Phys.
, vol.79
, pp. 926-935
-
-
Jorgensen, W.L.1
Chandrasekhar, J.2
Madura, J.D.3
Impey, R.W.4
Klein, M.L.5
-
43
-
-
33646940952
-
Numerical Integration of the Cartesian Equations of Motion of a System with Constraints: Molecular Dynamics of N-Alkanes
-
Ryckaert, J.-P.; Ciccotti, G.; Berendsen, H. J. C. Numerical Integration of the Cartesian Equations of Motion of a System with Constraints: Molecular Dynamics of N-Alkanes J. Comput. Phys. 1977, 23, 327-341 10.1016/0021-9991(77)90098-5
-
(1977)
J. Comput. Phys.
, vol.23
, pp. 327-341
-
-
Ryckaert, J.-P.1
Ciccotti, G.2
Berendsen, H.J.C.3
-
44
-
-
0025292904
-
Langevin Modes of Macromolecules: Applications to Crambin and DNA Hexamers
-
Kottalam, J.; Case, D. A. Langevin Modes of Macromolecules: Applications to Crambin and DNA Hexamers Biopolymers 1990, 29, 1409-1421 10.1002/bip.360291008
-
(1990)
Biopolymers
, vol.29
, pp. 1409-1421
-
-
Kottalam, J.1
Case, D.A.2
-
45
-
-
0026869597
-
Langevin Dynamics of Peptides: The Frictional Dependence of Isomerization Rates of N-Acetylalanyl-N′-Methylamide
-
Loncharich, R. J.; Brooks, B. R.; Pastor, R. W. Langevin Dynamics of Peptides: The Frictional Dependence of Isomerization Rates of N-Acetylalanyl-N′-Methylamide Biopolymers 1992, 32, 523-535 10.1002/bip.360320508
-
(1992)
Biopolymers
, vol.32
, pp. 523-535
-
-
Loncharich, R.J.1
Brooks, B.R.2
Pastor, R.W.3
-
46
-
-
84898893736
-
-
University of California: San Francisco
-
Case, D. A.; Darden, T. A.; Cheatham, T. E., III; Simmerling, C. L.; Wang, J.; Duke, R. E.; Luo, R.; Walker, R. C.; Zhang, W.; Merz, K. M.; Roberts, B.; Hayik, S.; Roitberg, A.; Seabra, G.; Swails, J.; Götz, A. W.; Kolossváry, I.; Wong, K. F.; Paesani, F.; Vanicek, J.; Wolf, R. M.; Liu, J.; Wu, X.; Brozell, S. R.; Steinbrecher, T.; Gohlke, H.; Cai, Q.; Ye, X.; Wang, J.; Hsieh, M.-J.; Cui, G.; Roe, D. R.; Mathews, D. H.; Seetin, M. G.; Salomon-Ferrer, R.; Sagui, C.; Babin, V.; Luchko, T.; Gusarov, S.; Kovalenko, A.; Kollman, P. A. Amber 13; University of California: San Francisco, 2012.
-
(2012)
Amber 13
-
-
Case, D.A.1
Darden, T.A.2
Cheatham, C.E.3
Simmerling, C.L.4
Wang, J.5
Duke, R.E.6
Luo, R.7
Walker, R.C.8
Zhang, W.9
Merz, K.M.10
Roberts, B.11
Hayik, S.12
Roitberg, A.13
Seabra, G.14
Swails, J.15
Götz, A.W.16
Kolossváry, I.17
Wong, K.F.18
Paesani, F.19
Vanicek, J.20
Wolf, R.M.21
Liu, J.22
Wu, X.23
Brozell, S.R.24
Steinbrecher, T.25
Gohlke, H.26
Cai, Q.27
Ye, X.28
Wang, J.29
Hsieh, M.-J.30
Cui, G.31
Roe, D.R.32
Mathews, D.H.33
Seetin, M.G.34
Salomon-Ferrer, R.35
Sagui, C.36
Babin, V.37
Luchko, T.38
Gusarov, S.39
Kovalenko, A.40
Kollman, P.A.41
more..
-
47
-
-
36649006642
-
Clustering Molecular Dynamics Trajectories: 1. Characterizing the Performance of Different Clustering Algorithms
-
Shao, J. Y.; Tanner, S. W.; Thompson, N.; Cheatham, T. E. Clustering Molecular Dynamics Trajectories: 1. Characterizing the Performance of Different Clustering Algorithms J. Chem. Theory Comput. 2007, 3, 2312-2334 10.1021/ct700119m
-
(2007)
J. Chem. Theory Comput.
, vol.3
, pp. 2312-2334
-
-
Shao, J.Y.1
Tanner, S.W.2
Thompson, N.3
Cheatham, T.E.4
-
48
-
-
0034521981
-
Calculating Structures and Free Energies of Complex Molecules: Combining Molecular Mechanics and Continuum Models
-
Kollman, P. A.; Massova, I.; Reyes, C.; Kuhn, B.; Huo, S. H.; Chong, L.; Lee, M.; Lee, T.; Duan, Y.; Wang, W.; Donini, O.; Cieplak, P.; Srinivasan, J.; Case, D. A.; Cheatham, T. E. Calculating Structures and Free Energies of Complex Molecules: Combining Molecular Mechanics and Continuum Models Acc. Chem. Res. 2000, 33, 889-897 10.1021/ar000033j
-
(2000)
Acc. Chem. Res.
, vol.33
, pp. 889-897
-
-
Kollman, P.A.1
Massova, I.2
Reyes, C.3
Kuhn, B.4
Huo, S.H.5
Chong, L.6
Lee, M.7
Lee, T.8
Duan, Y.9
Wang, W.10
Donini, O.11
Cieplak, P.12
Srinivasan, J.13
Case, D.A.14
Cheatham, T.E.15
-
49
-
-
0032466648
-
Continuum Solvent Studies of the Stability of RNA Hairpin Loops and Helices
-
Srinivasan, J.; Miller, J.; Kollman, P. A.; Case, D. A. Continuum Solvent Studies of the Stability of Rna Hairpin Loops and Helices J. Biomol. Struct. Dyn. 1998, 16, 671-682 10.1080/07391102.1998.10508279
-
(1998)
J. Biomol. Struct. Dyn.
, vol.16
, pp. 671-682
-
-
Srinivasan, J.1
Miller, J.2
Kollman, P.A.3
Case, D.A.4
-
50
-
-
84921293370
-
Gli1/DNA Interaction Is a Druggable Target for Hedgehog-Dependent Tumors
-
Infante, P.; Mori, M.; Alfonsi, R.; Ghirga, F.; Aiello, F.; Toscano, S.; Ingallina, C.; Siler, M.; Cucchi, D.; Po, A.; Miele, E.; DAmico, D.; Canettieri, G.; De Smaele, E.; Ferretti, E.; Screpanti, I.; Uccello Barretta, G.; Botta, M.; Botta, B.; Gulino, A.; Di Marcotullio, L. Gli1/DNA Interaction Is a Druggable Target for Hedgehog-Dependent Tumors EMBO J. 2015, 34, 200-217 10.15252/embj.201489213
-
(2015)
EMBO J.
, vol.34
, pp. 200-217
-
-
Infante, P.1
Mori, M.2
Alfonsi, R.3
Ghirga, F.4
Aiello, F.5
Toscano, S.6
Ingallina, C.7
Siler, M.8
Cucchi, D.9
Po, A.10
Miele, E.11
D'Amico, D.12
Canettieri, G.13
De Smaele, E.14
Ferretti, E.15
Screpanti, I.16
Uccello Barretta, G.17
Botta, M.18
Botta, B.19
Gulino, A.20
Di Marcotullio, L.21
more..
-
51
-
-
0034521981
-
Calculating Structures and Free Energies of Complex Molecules: Combining Molecular Mechanics and Continuum Models
-
Kollman, P. A.; Massova, I.; Reyes, C.; Kuhn, B.; Huo, S.; Chong, L.; Lee, M.; Lee, T.; Duan, Y.; Wang, W.; Donini, O.; Cieplak, P.; Srinivasan, J.; Case, D. A.; Cheatham, T. E., 3rd Calculating Structures and Free Energies of Complex Molecules: Combining Molecular Mechanics and Continuum Models Acc. Chem. Res. 2000, 33, 889-897 10.1021/ar000033j
-
(2000)
Acc. Chem. Res.
, vol.33
, pp. 889-897
-
-
Kollman, P.A.1
Massova, I.2
Reyes, C.3
Kuhn, B.4
Huo, S.5
Chong, L.6
Lee, M.7
Lee, T.8
Duan, Y.9
Wang, W.10
Donini, O.11
Cieplak, P.12
Srinivasan, J.13
Case, D.A.14
Cheatham, T.E.15
-
52
-
-
84857282935
-
Free Energy Calculations by the Molecular Mechanics Poisson-Boltzmann Surface Area Method
-
Homeyer, N.; Gohlke, H. Free Energy Calculations by the Molecular Mechanics Poisson-Boltzmann Surface Area Method Mol. Inf. 2012, 31, 114-122 10.1002/minf.201100135
-
(2012)
Mol. Inf.
, vol.31
, pp. 114-122
-
-
Homeyer, N.1
Gohlke, H.2
-
53
-
-
79952168198
-
Predicting the Binding Mode of Known Ncp7 Inhibitors to Facilitate the Design of Novel Modulators
-
Mori, M.; Manetti, F.; Botta, M. Predicting the Binding Mode of Known Ncp7 Inhibitors to Facilitate the Design of Novel Modulators J. Chem. Inf. Model. 2011, 51, 446-454 10.1021/ci100393m
-
(2011)
J. Chem. Inf. Model.
, vol.51
, pp. 446-454
-
-
Mori, M.1
Manetti, F.2
Botta, M.3
-
54
-
-
0022510143
-
Identifying Nonpolar Transbilayer Helices in Amino Acid Sequences of Membrane Proteins
-
Engelman, D. M.; Steitz, T. A.; Goldman, A. Identifying Nonpolar Transbilayer Helices in Amino Acid Sequences of Membrane Proteins Annu. Rev. Biophys. Biophys. Chem. 1986, 15, 321-53 10.1146/annurev.bb.15.060186.001541
-
(1986)
Annu. Rev. Biophys. Biophys. Chem.
, vol.15
, pp. 321-353
-
-
Engelman, D.M.1
Steitz, T.A.2
Goldman, A.3
-
55
-
-
0035964342
-
Electrostatics of Nanosystems: Application to Microtubules and the Ribosome
-
Baker, N. A.; Sept, D.; Joseph, S.; Holst, M. J.; McCammon, J. A. Electrostatics of Nanosystems: Application to Microtubules and the Ribosome Proc. Natl. Acad. Sci. U. S. A. 2001, 98, 10037-10041 10.1073/pnas.181342398
-
(2001)
Proc. Natl. Acad. Sci. U. S. A.
, vol.98
, pp. 10037-10041
-
-
Baker, N.A.1
Sept, D.2
Joseph, S.3
Holst, M.J.4
McCammon, J.A.5
-
56
-
-
0242509772
-
Self-Guided Langevin Dynamics Simulation Method
-
Wu, X. W.; Brooks, B. R. Self-Guided Langevin Dynamics Simulation Method Chem. Phys. Lett. 2003, 381, 512-518 10.1016/j.cplett.2003.10.013
-
(2003)
Chem. Phys. Lett.
, vol.381
, pp. 512-518
-
-
Wu, X.W.1
Brooks, B.R.2
-
57
-
-
84897584647
-
Efficient and Unbiased Sampling of Biomolecular Systems in the Canonical Ensemble: A Review of Self-Guided Langevin Dynamics
-
Wu, X. W.; Damjanovic, A.; Brooks, B. R. Efficient and Unbiased Sampling of Biomolecular Systems in the Canonical Ensemble: A Review of Self-Guided Langevin Dynamics Adv. Chem. Phys, Vol 150 2012, 150, 255-326 10.1002/9781118197714.ch6
-
(2012)
Adv. Chem. Phys, Vol 150
, vol.150
, pp. 255-326
-
-
Wu, X.W.1
Damjanovic, A.2
Brooks, B.R.3
-
58
-
-
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, 2577-637 10.1002/bip.360221211
-
(1983)
Biopolymers
, vol.22
, pp. 2577-2637
-
-
Kabsch, W.1
Sander, C.2
-
59
-
-
0022510143
-
Identifying Nonpolar Transbilayer Helices in Amino-Acid-Sequences of Membrane-Proteins
-
Engelman, D. M.; Steitz, T. A.; Goldman, A. Identifying Nonpolar Transbilayer Helices in Amino-Acid-Sequences of Membrane-Proteins Annu. Rev. Biophys. Biophys. Chem. 1986, 15, 321-353 10.1146/annurev.bb.15.060186.001541
-
(1986)
Annu. Rev. Biophys. Biophys. Chem.
, vol.15
, pp. 321-353
-
-
Engelman, D.M.1
Steitz, T.A.2
Goldman, A.3
-
60
-
-
84860631021
-
Interaction Network of the 14-3-3 Protein in the Ancient Protozoan Parasite Giardia Duodenalis
-
Lalle, M.; Camerini, S.; Cecchetti, S.; Sayadi, A.; Crescenzi, M.; Pozio, E. Interaction Network of the 14-3-3 Protein in the Ancient Protozoan Parasite Giardia Duodenalis J. Proteome Res. 2012, 11, 2666-2683 10.1021/pr3000199
-
(2012)
J. Proteome Res.
, vol.11
, pp. 2666-2683
-
-
Lalle, M.1
Camerini, S.2
Cecchetti, S.3
Sayadi, A.4
Crescenzi, M.5
Pozio, E.6
-
61
-
-
0032568665
-
14-3-3zeta Binds a Phosphorylated Raf Peptide and an Unphosphorylated Peptide Via Its Conserved Amphipathic Groove
-
Petosa, C.; Masters, S. C.; Bankston, L. A.; Pohl, J.; Wang, B.; Fu, H.; Liddington, R. C. 14-3-3zeta Binds a Phosphorylated Raf Peptide and an Unphosphorylated Peptide Via Its Conserved Amphipathic Groove J. Biol. Chem. 1998, 273, 16305-16310 10.1074/jbc.273.26.16305
-
(1998)
J. Biol. Chem.
, vol.273
, pp. 16305-16310
-
-
Petosa, C.1
Masters, S.C.2
Bankston, L.A.3
Pohl, J.4
Wang, B.5
Fu, H.6
Liddington, R.C.7
-
62
-
-
77956526248
-
Structure of a 14-3-3sigma-Yap Phosphopeptide Complex at 1.15 a Resolution
-
Schumacher, B.; Skwarczynska, M.; Rose, R.; Ottmann, C. Structure of a 14-3-3sigma-Yap Phosphopeptide Complex at 1.15 a Resolution Acta Crystallogr., Sect. F: Struct. Biol. Cryst. Commun. 2010, 66, 978-984 10.1107/S1744309110025479
-
(2010)
Acta Crystallogr., Sect. F: Struct. Biol. Cryst. Commun.
, vol.66
, pp. 978-984
-
-
Schumacher, B.1
Skwarczynska, M.2
Rose, R.3
Ottmann, C.4
-
63
-
-
33751248527
-
Structural Basis for Protein-Protein Interactions in the 14-3-3 Protein Family
-
Yang, X.; Lee, W. H.; Sobott, F.; Papagrigoriou, E.; Robinson, C. V.; Grossmann, J. G.; Sundstrom, M.; Doyle, D. A.; Elkins, J. M. Structural Basis for Protein-Protein Interactions in the 14-3-3 Protein Family Proc. Natl. Acad. Sci. U. S. A. 2006, 103, 17237-17242 10.1073/pnas.0605779103
-
(2006)
Proc. Natl. Acad. Sci. U. S. A.
, vol.103
, pp. 17237-17242
-
-
Yang, X.1
Lee, W.H.2
Sobott, F.3
Papagrigoriou, E.4
Robinson, C.V.5
Grossmann, J.G.6
Sundstrom, M.7
Doyle, D.A.8
Elkins, J.M.9
-
64
-
-
84866167816
-
Mmpbsa.Py: An Efficient Program for End-State Free Energy Calculations
-
Miller, B. R.; McGee, T. D.; Swails, J. M.; Homeyer, N.; Gohlke, H.; Roitberg, A. E. Mmpbsa.Py: An Efficient Program for End-State Free Energy Calculations J. Chem. Theory Comput. 2012, 8, 3314-3321 10.1021/ct300418h
-
(2012)
J. Chem. Theory Comput.
, vol.8
, pp. 3314-3321
-
-
Miller, B.R.1
McGee, T.D.2
Swails, J.M.3
Homeyer, N.4
Gohlke, H.5
Roitberg, A.E.6
-
65
-
-
0036007974
-
Divalent Cations and Polyamines Bind to Loop 8 of 14-3-3 Proteins, Modulating Their Interaction with Phosphorylated Nitrate Reductase
-
Athwal, G. S.; Huber, S. C. Divalent Cations and Polyamines Bind to Loop 8 of 14-3-3 Proteins, Modulating Their Interaction with Phosphorylated Nitrate Reductase Plant J. 2002, 29, 119-129 10.1046/j.0960-7412.2001.01200.x
-
(2002)
Plant J.
, vol.29
, pp. 119-129
-
-
Athwal, G.S.1
Huber, S.C.2
-
66
-
-
21044450171
-
The Crystal Structure of the Non-Liganded 14-3-3sigma Protein: Insights into Determinants of Isoform Specific Ligand Binding and Dimerization
-
Benzinger, A.; Popowicz, G. M.; Joy, J. K.; Majumdar, S.; Holak, T. A.; Hermeking, H. The Crystal Structure of the Non-Liganded 14-3-3sigma Protein: Insights into Determinants of Isoform Specific Ligand Binding and Dimerization Cell Res. 2005, 15, 219-227 10.1038/sj.cr.7290290
-
(2005)
Cell Res.
, vol.15
, pp. 219-227
-
-
Benzinger, A.1
Popowicz, G.M.2
Joy, J.K.3
Majumdar, S.4
Holak, T.A.5
Hermeking, H.6
-
67
-
-
21444436802
-
A Structural Basis for 14-3-3sigma Functional Specificity
-
Wilker, E. W.; Grant, R. A.; Artim, S. C.; Yaffe, M. B. A Structural Basis for 14-3-3sigma Functional Specificity J. Biol. Chem. 2005, 280, 18891-18898 10.1074/jbc.M500982200
-
(2005)
J. Biol. Chem.
, vol.280
, pp. 18891-18898
-
-
Wilker, E.W.1
Grant, R.A.2
Artim, S.C.3
Yaffe, M.B.4
-
68
-
-
83355174044
-
Structural Basis for the 14-3-3 Protein-Dependent Inhibition of the Regulator of G Protein Signaling 3 (Rgs3) Function
-
Rezabkova, L.; Man, P.; Novak, P.; Herman, P.; Vecer, J.; Obsilova, V.; Obsil, T. Structural Basis for the 14-3-3 Protein-Dependent Inhibition of the Regulator of G Protein Signaling 3 (Rgs3) Function J. Biol. Chem. 2011, 286, 43527-43536 10.1074/jbc.M111.273573
-
(2011)
J. Biol. Chem.
, vol.286
, pp. 43527-43536
-
-
Rezabkova, L.1
Man, P.2
Novak, P.3
Herman, P.4
Vecer, J.5
Obsilova, V.6
Obsil, T.7
-
69
-
-
84875454076
-
Molecular Tweezers Modulate 14-3-3 Protein-Protein Interactions
-
Bier, D.; Rose, R.; Bravo-Rodriguez, K.; Bartel, M.; Ramirez-Anguita, J. M.; Dutt, S.; Wilch, C.; Klarner, F. G.; Sanchez-Garcia, E.; Schrader, T.; Ottmann, C. Molecular Tweezers Modulate 14-3-3 Protein-Protein Interactions Nat. Chem. 2013, 5, 234-239 10.1038/nchem.1570
-
(2013)
Nat. Chem.
, vol.5
, pp. 234-239
-
-
Bier, D.1
Rose, R.2
Bravo-Rodriguez, K.3
Bartel, M.4
Ramirez-Anguita, J.M.5
Dutt, S.6
Wilch, C.7
Klarner, F.G.8
Sanchez-Garcia, E.9
Schrader, T.10
Ottmann, C.11
|