-
1
-
-
77955517509
-
Druggable pockets and binding site centric chemical space: a paradigm shift in drug discovery
-
Perot S, Sperandio O, Miteva MA, Camproux AC, Villoutreix BO, Druggable pockets and binding site centric chemical space: a paradigm shift in drug discovery. Drug Discov Today 2010;15: 656–667. doi: 10.1016/j.drudis.2010.05.015 20685398
-
(2010)
Drug Discov Today
, vol.15
, pp. 656-667
-
-
Perot, S.1
Sperandio, O.2
Miteva, M.A.3
Camproux, A.C.4
Villoutreix, B.O.5
-
2
-
-
84908644902
-
Recent computational advances in the identification of allosteric sites in proteins
-
Lu S, Huang W, Zhang J, Recent computational advances in the identification of allosteric sites in proteins. Drug Discov Today 2014;19:1595–1600. doi: 10.1016/j.drudis.2014.07.012 25107670
-
(2014)
Drug Discov Today
, vol.19
, pp. 1595-1600
-
-
Lu, S.1
Huang, W.2
Zhang, J.3
-
3
-
-
0344558911
-
An Experimental Approach to Mapping the Binding Surfaces of Crystalline Proteins
-
Allen KN, Bellamacina CR, Ding X, Jeffery CJ, Mattos C, Petsko GA, Ringe D, An Experimental Approach to Mapping the Binding Surfaces of Crystalline Proteins. J Phys Chem 1996;100: 2605–2611.
-
(1996)
J Phys Chem
, vol.100
, pp. 2605-2611
-
-
Allen, K.N.1
Bellamacina, C.R.2
Ding, X.3
Jeffery, C.J.4
Mattos, C.5
Petsko, G.A.6
Ringe, D.7
-
4
-
-
0037007068
-
Computational mapping identifies the binding sites of organic solvents on proteins
-
Dennis S, Kortvelyesi T, Vajda S, Computational mapping identifies the binding sites of organic solvents on proteins. Proc Natl Acad Sci U S A 2002;99: 4290–4295. 11904374
-
(2002)
Proc Natl Acad Sci U S A
, vol.99
, pp. 4290-4295
-
-
Dennis, S.1
Kortvelyesi, T.2
Vajda, S.3
-
5
-
-
17144373303
-
Druggability indices for protein targets derived from NMR-based screening data
-
Hajduk PJ, Huth JR, Fesik SW, Druggability indices for protein targets derived from NMR-based screening data. J Med Chem 2005;48: 2518–2525. 15801841
-
(2005)
J Med Chem
, vol.48
, pp. 2518-2525
-
-
Hajduk, P.J.1
Huth, J.R.2
Fesik, S.W.3
-
6
-
-
80054950510
-
Molecular dynamics simulations and drug discovery
-
Durrant JD, McCammon JA, Molecular dynamics simulations and drug discovery. BMC Biol 2011;9: 71. doi: 10.1186/1741-7007-9-71 22035460
-
(2011)
BMC Biol
, vol.9
, pp. 71
-
-
Durrant, J.D.1
McCammon, J.A.2
-
7
-
-
65449159794
-
Binding site detection and druggability index from first principles
-
Seco J, Luque FJ, Barril X, Binding site detection and druggability index from first principles. J Med Chem 2009;52: 2363–2371. doi: 10.1021/jm801385d 19296650
-
(2009)
J Med Chem
, vol.52
, pp. 2363-2371
-
-
Seco, J.1
Luque, F.J.2
Barril, X.3
-
8
-
-
84863661333
-
Druggability Assessment of Allosteric Proteins by Dynamics Simulations in the Presence of Probe Molecules
-
Bakan A, Nevins N, Lakdawala AS, Bahar I, Druggability Assessment of Allosteric Proteins by Dynamics Simulations in the Presence of Probe Molecules. J Chem Theory Comput 2012;8: 2435–2447. 22798729
-
(2012)
J Chem Theory Comput
, vol.8
, pp. 2435-2447
-
-
Bakan, A.1
Nevins, N.2
Lakdawala, A.S.3
Bahar, I.4
-
9
-
-
68249132213
-
Computational Fragment-Based Binding Site Identification by Ligand Competitive Saturation
-
Guvench O, MacKerell AD, JrComputational Fragment-Based Binding Site Identification by Ligand Competitive Saturation. PLoS Comput Biol 2009;5: e1000435. doi: 10.1371/journal.pcbi.1000435 19593374
-
(2009)
PLoS Comput Biol
, vol.5
, pp. 1000435
-
-
Guvench, O.1
MacKerell, A.D.2
-
10
-
-
80052087953
-
Small molecule binding to proteins: affinity and binding/unbinding dynamics from atomistic simulations
-
Huang D, Caflisch A, Small molecule binding to proteins: affinity and binding/unbinding dynamics from atomistic simulations. ChemMedChem 2011;6: 1578–1580. doi: 10.1002/cmdc.201100237 21674810
-
(2011)
ChemMedChem
, vol.6
, pp. 1578-1580
-
-
Huang, D.1
Caflisch, A.2
-
11
-
-
84927690758
-
Binding hotspots on K-ras: Consensus ligand binding sites and other reactive regions from probe-based molecular dynamics analysis
-
Prakash P, Hancock JF, Gorfe AA, Binding hotspots on K-ras: Consensus ligand binding sites and other reactive regions from probe-based molecular dynamics analysis. Proteins 2015;83: 898–909. doi: 10.1002/prot.24786 25740554
-
(2015)
Proteins
, vol.83
, pp. 898-909
-
-
Prakash, P.1
Hancock, J.F.2
Gorfe, A.A.3
-
12
-
-
78651402672
-
Full protein flexibility is essential for proper hot-spot mapping
-
Lexa KW, Carlson HA, Full protein flexibility is essential for proper hot-spot mapping. J Am Chem Soc 2011;133: 200–202. doi: 10.1021/ja1079332 21158470
-
(2011)
J Am Chem Soc
, vol.133
, pp. 200-202
-
-
Lexa, K.W.1
Carlson, H.A.2
-
13
-
-
79955425362
-
Reproducing Crystal Binding Modes of Ligand Functional Groups Using Site-Identification by Ligand Competitive Saturation (SILCS) Simulations
-
Raman EP, Yu W, Guvench O, MacKerell AD, Reproducing Crystal Binding Modes of Ligand Functional Groups Using Site-Identification by Ligand Competitive Saturation (SILCS) Simulations. J Chem Inf Model 2011;51: 877–896. doi: 10.1021/ci100462t 21456594
-
(2011)
J Chem Inf Model
, vol.51
, pp. 877-896
-
-
Raman, E.P.1
Yu, W.2
Guvench, O.3
MacKerell, A.D.4
-
14
-
-
77249157335
-
Mechanisms of allostery and membrane attachment in Ras GTPases: implications for anti-cancer drug discovery
-
Gorfe AA, Mechanisms of allostery and membrane attachment in Ras GTPases: implications for anti-cancer drug discovery. Curr Med Chem 2010;17: 1–9. 19941482
-
(2010)
Curr Med Chem
, vol.17
, pp. 1-9
-
-
Gorfe, A.A.1
-
15
-
-
33749521608
-
Latest development in drug discovery on G protein-coupled receptors
-
Lundstrom K, Latest development in drug discovery on G protein-coupled receptors. Curr Protein Pept Sci 2006;7: 465–470. 17073697
-
(2006)
Curr Protein Pept Sci
, vol.7
, pp. 465-470
-
-
Lundstrom, K.1
-
16
-
-
84905822657
-
Overview of simulation studies on the enzymatic activity and conformational dynamics of the GTPase Ras
-
Prakash P, Gorfe AA, Overview of simulation studies on the enzymatic activity and conformational dynamics of the GTPase Ras. Mol Simul 2014;40: 839–847.
-
(2014)
Mol Simul
, vol.40
, pp. 839-847
-
-
Prakash, P.1
Gorfe, A.A.2
-
17
-
-
84881539880
-
Lessons from computer simulations of Ras proteins in solution and in membrane
-
Prakash P, Gorfe AA, Lessons from computer simulations of Ras proteins in solution and in membrane. Biochim Biophys Acta 2013;1830: 5211–5218. doi: 10.1016/j.bbagen.2013.07.024 23906604
-
(2013)
Biochim Biophys Acta
, vol.1830
, pp. 5211-5218
-
-
Prakash, P.1
Gorfe, A.A.2
-
18
-
-
84937731056
-
What can we learn from molecular dynamics simulations for GPCR drug design?
-
Tautermann CS, Seeliger D, Kriegl JM, What can we learn from molecular dynamics simulations for GPCR drug design? Comput Struct Biotechnol J 2015;13: 111–121. doi: 10.1016/j.csbj.2014.12.002 25709761
-
(2015)
Comput Struct Biotechnol J
, vol.13
, pp. 111-121
-
-
Tautermann, C.S.1
Seeliger, D.2
Kriegl, J.M.3
-
19
-
-
78650845707
-
G protein-coupled receptors: novel targets for drug discovery in cancer
-
Lappano R, Maggiolini M, G protein-coupled receptors: novel targets for drug discovery in cancer. Nat Rev Drug Discov 2011;10: 47–60. doi: 10.1038/nrd3320 21193867
-
(2011)
Nat Rev Drug Discov
, vol.10
, pp. 47-60
-
-
Lappano, R.1
Maggiolini, M.2
-
20
-
-
84886779742
-
Phosphatidylcholine attenuates aggregation of nonsteroidal anti-inflammatory drugs with bile acid
-
Prakash P, Gorfe AA, Phosphatidylcholine attenuates aggregation of nonsteroidal anti-inflammatory drugs with bile acid. Biochemistry 2013;52: 7461–7469. doi: 10.1021/bi400723r 24066846
-
(2013)
Biochemistry
, vol.52
, pp. 7461-7469
-
-
Prakash, P.1
Gorfe, A.A.2
-
21
-
-
84865343994
-
Aggregation behavior of ibuprofen, cholic acid and dodecylphosphocholine micelles
-
Prakash P, Sayyed-Ahmad A, Zhou Y, Volk DE, Gorenstein DG, Dial E, Lichtenberger LM, Gorfe AA, Aggregation behavior of ibuprofen, cholic acid and dodecylphosphocholine micelles. Biochim Biophys Acta 2012; 1818: 3040–3047. doi: 10.1016/j.bbamem.2012.07.029 22885171
-
(2012)
Biochim Biophys Acta
, vol.1818
, pp. 3040-3047
-
-
Prakash, P.1
Sayyed-Ahmad, A.2
Zhou, Y.3
Volk, D.E.4
Gorenstein, D.G.5
Dial, E.6
Lichtenberger, L.M.7
Gorfe, A.A.8
-
22
-
-
77955544317
-
Structure and Dynamics of Cholic Acid and Dodecylphosphocholine—Cholic Acid Aggregates
-
Sayyed-Ahmad A, Lichtenberger LM, Gorfe AA, Structure and Dynamics of Cholic Acid and Dodecylphosphocholine—Cholic Acid Aggregates. Langmuir 2010;26: 13407–13414. doi: 10.1021/la102106t 20695585
-
(2010)
Langmuir
, vol.26
, pp. 13407-13414
-
-
Sayyed-Ahmad, A.1
Lichtenberger, L.M.2
Gorfe, A.A.3
-
23
-
-
77249136326
-
Partitioning of nonsteroidal antiinflammatory drugs in lipid membranes: a molecular dynamics simulation study
-
Boggara MB, Krishnamoorti R, Partitioning of nonsteroidal antiinflammatory drugs in lipid membranes: a molecular dynamics simulation study. Biophys J 2010;98: 586–595. doi: 10.1016/j.bpj.2009.10.046 20159155
-
(2010)
Biophys J
, vol.98
, pp. 586-595
-
-
Boggara, M.B.1
Krishnamoorti, R.2
-
24
-
-
84878047721
-
Aqueous-membrane partitioning of [small beta]-substituted porphyrins encompassing diverse polarity
-
Soares ARM, Thanaiah Y, Taniguchi M, Lindsey JS, Aqueous-membrane partitioning of [small beta]-substituted porphyrins encompassing diverse polarity. New J Chem 2013;37: 1087–1097.
-
(2013)
New J Chem
, vol.37
, pp. 1087-1097
-
-
Soares, A.R.M.1
Thanaiah, Y.2
Taniguchi, M.3
Lindsey, J.S.4
-
25
-
-
78649474147
-
Ras history: The saga continues
-
Cox AD, Der CJ, Ras history: The saga continues. Small GTPases 2010;1: 2–27. 21686117
-
(2010)
Small GTPases
, vol.1
, pp. 2-27
-
-
Cox, A.D.1
Der, C.J.2
-
26
-
-
0023068346
-
Ras Genes
-
Barbacid M, Ras Genes. Annu Rev Biochem 1987;56: 779–827. 3304147
-
(1987)
Annu Rev Biochem
, vol.56
, pp. 779-827
-
-
Barbacid, M.1
-
27
-
-
45849130495
-
Ras oncogenes: split personalities
-
Karnoub AE, Weinberg RA, Ras oncogenes: split personalities. Nat Rev Mol Cell Biol 2008; 9: 517–531. doi: 10.1038/nrm2438 18568040
-
(2008)
Nat Rev Mol Cell Biol
, vol.9
, pp. 517-531
-
-
Karnoub, A.E.1
Weinberg, R.A.2
-
28
-
-
0024376173
-
Ras oncogenes in human cancer: a review
-
Bos JL, Ras oncogenes in human cancer: a review. Cancer Res 1989; 49: 4682–4689. 2547513
-
(1989)
Cancer Res
, vol.49
, pp. 4682-4689
-
-
Bos, J.L.1
-
29
-
-
84861147473
-
A comprehensive survey of Ras mutations in cancer
-
Prior IA, Lewis PD, Mattos C, A comprehensive survey of Ras mutations in cancer. Cancer Res 2012;72: 2457–2467. doi: 10.1158/0008-5472.CAN-11-2612 22589270
-
(2012)
Cancer Res
, vol.72
, pp. 2457-2467
-
-
Prior, I.A.1
Lewis, P.D.2
Mattos, C.3
-
30
-
-
84908491115
-
Drugging the undruggable RAS: Mission Possible?
-
Cox AD, Fesik SW, Kimmelman AC, Luo J, Der CJ, Drugging the undruggable RAS: Mission Possible? Nat Rev Drug Discov 2014;13: 828–851. doi: 10.1038/nrd4389 25323927
-
(2014)
Nat Rev Drug Discov
, vol.13
, pp. 828-851
-
-
Cox, A.D.1
Fesik, S.W.2
Kimmelman, A.C.3
Luo, J.4
Der, C.J.5
-
31
-
-
84865463399
-
Ras inhibition via direct Ras binding—is there a path forward?
-
Wang W, Fang G, Rudolph J, Ras inhibition via direct Ras binding—is there a path forward? Bioorg Med Chem Lett 2012;22: 5766–5776. doi: 10.1016/j.bmcl.2012.07.082 22902659
-
(2012)
Bioorg Med Chem Lett
, vol.22
, pp. 5766-5776
-
-
Wang, W.1
Fang, G.2
Rudolph, J.3
-
32
-
-
84859463451
-
Small-molecule ligands bind to a distinct pocket in Ras and inhibit SOS-mediated nucleotide exchange activity
-
Maurer T, Garrenton LS, Oh A, Pitts K, Anderson DJ, Skelton NJ, Fauber BP, Pan B, Malek S, Stokoe D, Ludlam MJ, Bowman KK, Wu J, Giannetti AM, Starovasnik MA, Mellman I, Jackson PK, Rudolph J, Wang W, Fang G, Small-molecule ligands bind to a distinct pocket in Ras and inhibit SOS-mediated nucleotide exchange activity. Proc Natl Acad Sci U S A 2012;109: 5299–5304. doi: 10.1073/pnas.1116510109 22431598
-
(2012)
Proc Natl Acad Sci U S A
, vol.109
, pp. 5299-5304
-
-
Maurer, T.1
Garrenton, L.S.2
Oh, A.3
Pitts, K.4
Anderson, D.J.5
Skelton, N.J.6
Fauber, B.P.7
Pan, B.8
Malek, S.9
Stokoe, D.10
Ludlam, M.J.11
Bowman, K.K.12
Wu, J.13
Giannetti, A.M.14
Starovasnik, M.A.15
Mellman, I.16
Jackson, P.K.17
Rudolph, J.18
Wang, W.19
Fang, G.20
more..
-
33
-
-
84862649997
-
Discovery of small molecules that bind to K-Ras and inhibit Sos-mediated activation
-
Sun Q, Burke JP, Phan J, Burns MC, Olejniczak ET, Waterson AG, Lee T, Rossanese OW, Fesik SW, Discovery of small molecules that bind to K-Ras and inhibit Sos-mediated activation. Angew Chem Int Ed Engl 2012;51:6140–6143. doi: 10.1002/anie.201201358 22566140
-
(2012)
Angew Chem Int Ed Engl
, vol.51
, pp. 6140-6143
-
-
Sun, Q.1
Burke, J.P.2
Phan, J.3
Burns, M.C.4
Olejniczak, E.T.5
Waterson, A.G.6
Lee, T.7
Rossanese, O.W.8
Fesik, S.W.9
-
34
-
-
84877863454
-
In silico discovery of small-molecule Ras inhibitors that display antitumor activity by blocking the Ras–effector interaction
-
Shima F, Yoshikawa Y, Ye M, Araki M, Matsumoto S, Liao J, Hu L, Sugimoto T, Ijiri Y, Takeda A, Nishiyama Y, Sato C, Muraoka S, Tamura A, Osoda T, Tsuda K.-I, Miyakawa T, Fukunishi H, Shimada J, Kumasaka T, Yamamoto M, Kataoka T, In silico discovery of small-molecule Ras inhibitors that display antitumor activity by blocking the Ras–effector interaction. Proc Natl Acad Sci U S A 2013;110:8182–8187. doi: 10.1073/pnas.1217730110 23630290
-
(2013)
Proc Natl Acad Sci U S A
, vol.110
, pp. 8182-8187
-
-
Shima, F.1
Yoshikawa, Y.2
Ye, M.3
Araki, M.4
Matsumoto, S.5
Liao, J.6
Hu, L.7
Sugimoto, T.8
Ijiri, Y.9
Takeda, A.10
Nishiyama, Y.11
Sato, C.12
Muraoka, S.13
Tamura, A.14
Osoda, T.15
Tsuda, K.-I.16
Miyakawa, T.17
Fukunishi, H.18
Shimada, J.19
Kumasaka, T.20
Yamamoto, M.21
Kataoka, T.22
more..
-
35
-
-
77952650846
-
Stabilizing a Weak Binding State for Effectors in the Human Ras Protein by Cyclen Complexes
-
Rosnizeck IC, Graf T, Spoerner M, Tränkle J, Filchtinski D, Herrmann C, Gremer L, Vetter IR, Wittinghofer A, König B, Kalbitzer HR, Stabilizing a Weak Binding State for Effectors in the Human Ras Protein by Cyclen Complexes. Angew Chem Int Ed Engl 2010;49:3830–3833. doi: 10.1002/anie.200907002 20401883
-
(2010)
Angew Chem Int Ed Engl
, vol.49
, pp. 3830-3833
-
-
Rosnizeck, I.C.1
Graf, T.2
Spoerner, M.3
Tränkle, J.4
Filchtinski, D.5
Herrmann, C.6
Gremer, L.7
Vetter, I.R.8
Wittinghofer, A.9
König, B.10
Kalbitzer, H.R.11
-
36
-
-
84867532169
-
Metal–Bis(2-picolyl)amine Complexes as State 1(T) Inhibitors of Activated Ras Protein
-
Rosnizeck IC, Spoerner M, Harsch T, Kreitner S, Filchtinski D, Herrmann C, Engel D, König B, Kalbitzer HR, Metal–Bis(2-picolyl)amine Complexes as State 1(T) Inhibitors of Activated Ras Protein. Angew Chem Int Ed Engl 2012;51:10647–10651. doi: 10.1002/anie.201204148 22996816
-
(2012)
Angew Chem Int Ed Engl
, vol.51
, pp. 10647-10651
-
-
Rosnizeck, I.C.1
Spoerner, M.2
Harsch, T.3
Kreitner, S.4
Filchtinski, D.5
Herrmann, C.6
Engel, D.7
König, B.8
Kalbitzer, H.R.9
-
37
-
-
84888639050
-
K-Ras(G12C) inhibitors allosterically control GTP affinity and effector interactions
-
Ostrem JM, Peters U, Sos ML, Wells JA, Shokat KM, K-Ras(G12C) inhibitors allosterically control GTP affinity and effector interactions. Nature 2013;503:548–551. doi: 10.1038/nature12796 24256730
-
(2013)
Nature
, vol.503
, pp. 548-551
-
-
Ostrem, J.M.1
Peters, U.2
Sos, M.L.3
Wells, J.A.4
Shokat, K.M.5
-
38
-
-
84879383599
-
Andrographolide derivatives inhibit guanine nucleotide exchange and abrogate oncogenic Ras function
-
Hocker HJ, Cho KJ, Chen CY, Rambahal N, Sagineedu SR, Sharri K, Stanslas J, Hancock JF, Gorfe AA, Andrographolide derivatives inhibit guanine nucleotide exchange and abrogate oncogenic Ras function. Proc Natl Acad Sci U S A 2013; 110:10201–10206. doi: 10.1073/pnas.1300016110 23737504
-
(2013)
Proc Natl Acad Sci U S A
, vol.110
, pp. 10201-10206
-
-
Hocker, H.J.1
Cho, K.J.2
Chen, C.Y.3
Rambahal, N.4
Sagineedu, S.R.5
Sharri, K.6
Stanslas, J.7
Hancock, J.F.8
Gorfe, A.A.9
-
39
-
-
62149129986
-
Compartmentalized signalling: Ras proteins and signalling nanoclusters
-
Omerovic J, Prior IA, Compartmentalized signalling: Ras proteins and signalling nanoclusters. FEBS J 2009;276: 1817–1825. doi: 10.1111/j.1742-4658.2009.06928.x 19243428
-
(2009)
FEBS J
, vol.276
, pp. 1817-1825
-
-
Omerovic, J.1
Prior, I.A.2
-
40
-
-
0034998678
-
Compartmentalization of Ras proteins
-
Prior IA, Hancock JF, Compartmentalization of Ras proteins. J Cell Sci 2001;114: 1603–1608. 11309191
-
(2001)
J Cell Sci
, vol.114
, pp. 1603-1608
-
-
Prior, I.A.1
Hancock, J.F.2
-
41
-
-
27744549868
-
Electron microscopic imaging of Ras signaling domains
-
Hancock JF, Prior IA, Electron microscopic imaging of Ras signaling domains. Methods 2005;37: 165–172. 16288888
-
(2005)
Methods
, vol.37
, pp. 165-172
-
-
Hancock, J.F.1
Prior, I.A.2
-
42
-
-
84879258396
-
Compartmentalized Ras signaling differentially contributes to phenotypic outputs
-
Aran V, Prior IA, Compartmentalized Ras signaling differentially contributes to phenotypic outputs. Cell Signal 2013;25: 1748–1753. doi: 10.1016/j.cellsig.2013.05.004 23707528
-
(2013)
Cell Signal
, vol.25
, pp. 1748-1753
-
-
Aran, V.1
Prior, I.A.2
-
43
-
-
44649199260
-
Mapping the nucleotide and isoform-dependent structural and dynamical features of Ras proteins
-
Gorfe AA, Grant BJ, McCammon JA, Mapping the nucleotide and isoform-dependent structural and dynamical features of Ras proteins. Structure 2008;16: 885–896. doi: 10.1016/j.str.2008.03.009 18547521
-
(2008)
Structure
, vol.16
, pp. 885-896
-
-
Gorfe, A.A.1
Grant, B.J.2
McCammon, J.A.3
-
44
-
-
0024292722
-
Most human carcinomas of the exocrine pancreas contain mutant c-K-ras genes
-
Almoguera C, Shibata D, Forrester K, Martin J, Arnheim N, et al. Most human carcinomas of the exocrine pancreas contain mutant c-K-ras genes. Cell 1988;53: 549–554. 2453289
-
(1988)
Cell
, vol.53
, pp. 549-554
-
-
Almoguera, C.1
Shibata, D.2
Forrester, K.3
Martin, J.4
Arnheim, N.5
-
45
-
-
52149123619
-
Core signaling pathways in human pancreatic cancers revealed by global genomic analyses
-
Jones S, Zhang X, Parsons DW, Lin JC, Leary RJ, et al. Core signaling pathways in human pancreatic cancers revealed by global genomic analyses. Science 2008;321: 1801–1806. doi: 10.1126/science.1164368 18772397
-
(2008)
Science
, vol.321
, pp. 1801-1806
-
-
Jones, S.1
Zhang, X.2
Parsons, D.W.3
Lin, J.C.4
Leary, R.J.5
-
46
-
-
0023262990
-
Detection of high incidence of K-ras oncogenes during human colon tumorigenesis
-
Forrester K, Almoguera C, Han K, Grizzle WE, Perucho M, Detection of high incidence of K-ras oncogenes during human colon tumorigenesis. Nature 1987;327: 298–303. 2438556
-
(1987)
Nature
, vol.327
, pp. 298-303
-
-
Forrester, K.1
Almoguera, C.2
Han, K.3
Grizzle, W.E.4
Perucho, M.5
-
47
-
-
65349107082
-
KRAS mutations in non-small cell lung cancer
-
Riely GJ, Marks J, Pao W, KRAS mutations in non-small cell lung cancer. Proc Am Thorac Soc 2009;6: 201–205. doi: 10.1513/pats.200809-107LC 19349489
-
(2009)
Proc Am Thorac Soc
, vol.6
, pp. 201-205
-
-
Riely, G.J.1
Marks, J.2
Pao, W.3
-
48
-
-
0024407112
-
N-ras mutations in human cutaneous melanoma from sun-exposed body sites
-
van 't Veer LJ, Burgering BM, Versteeg R, Boot AJ, Ruiter DJ, et al. N-ras mutations in human cutaneous melanoma from sun-exposed body sites. Mol Cell Biol 1989;9: 3114–3116. 2674680
-
(1989)
Mol Cell Biol
, vol.9
, pp. 3114-3116
-
-
van 't Veer, L.J.1
Burgering, B.M.2
Versteeg, R.3
Boot, A.J.4
Ruiter, D.J.5
-
49
-
-
0028178840
-
Ras mutations in human melanoma: a marker of malignant progression
-
Ball NJ, Yohn JJ, Morelli JG, Norris DA, Golitz LE, et al. Ras mutations in human melanoma: a marker of malignant progression. J Invest Dermatol 1994;102: 285–290. 8120410
-
(1994)
J Invest Dermatol
, vol.102
, pp. 285-290
-
-
Ball, N.J.1
Yohn, J.J.2
Morelli, J.G.3
Norris, D.A.4
Golitz, L.E.5
-
50
-
-
0002521092
-
Analysis of N-ras gene mutation and p53 gene expression in human hepatocellular carcinomas
-
Luo D, Liu QF, Gove C, Naomov N, Su JJ, et al. Analysis of N-ras gene mutation and p53 gene expression in human hepatocellular carcinomas. World J Gastroenterol 1998; 4: 97–99. 11819246
-
(1998)
World J Gastroenterol
, vol.4
, pp. 97-99
-
-
Luo, D.1
Liu, Q.F.2
Gove, C.3
Naomov, N.4
Su, J.J.5
-
51
-
-
0028264485
-
Frequency of H-ras mutations in human bladder cancer detected by direct sequencing
-
Burchill SA, Neal DE, Lunec J, Frequency of H-ras mutations in human bladder cancer detected by direct sequencing. Br J Urol 1994;73: 516–521. 8012773
-
(1994)
Br J Urol
, vol.73
, pp. 516-521
-
-
Burchill, S.A.1
Neal, D.E.2
Lunec, J.3
-
52
-
-
33746789351
-
H-RAS 81 polymorphism is significantly associated with aneuploidy in follicular tumors of the thyroid
-
Castro P, Soares P, Gusmao L, Seruca R, Sobrinho-Simoes M, H-RAS 81 polymorphism is significantly associated with aneuploidy in follicular tumors of the thyroid. Oncogene 2006;25: 4620–4627. 16532025
-
(2006)
Oncogene
, vol.25
, pp. 4620-4627
-
-
Castro, P.1
Soares, P.2
Gusmao, L.3
Seruca, R.4
Sobrinho-Simoes, M.5
-
53
-
-
84927641895
-
Direct Attack on RAS: Intramolecular Communication and Mutation-Specific Effects
-
Marcus K, Mattos C, Direct Attack on RAS: Intramolecular Communication and Mutation-Specific Effects. Clin Cancer Res 2015;21: 1810–1818. doi: 10.1158/1078-0432.CCR-14-2148 25878362
-
(2015)
Clin Cancer Res
, vol.21
, pp. 1810-1818
-
-
Marcus, K.1
Mattos, C.2
-
54
-
-
33847413103
-
Structure and dynamics of the full-length lipid-modified H-Ras protein in a 1,2-dimyristoylglycero-3-phosphocholine bilayer
-
Gorfe AA, Hanzal-Bayer M, Abankwa D, Hancock JF, McCammon JA, Structure and dynamics of the full-length lipid-modified H-Ras protein in a 1,2-dimyristoylglycero-3-phosphocholine bilayer. J Med Chem 2007;50: 674–684. 17263520
-
(2007)
J Med Chem
, vol.50
, pp. 674-684
-
-
Gorfe, A.A.1
Hanzal-Bayer, M.2
Abankwa, D.3
Hancock, J.F.4
McCammon, J.A.5
-
55
-
-
40949130399
-
A novel switch region regulates H-ras membrane orientation and signal output
-
Abankwa D, Hanzal-Bayer M, Ariotti N, Plowman SJ, Gorfe AA, et al. A novel switch region regulates H-ras membrane orientation and signal output. EMBO J 2008;27: 727–735. doi: 10.1038/emboj.2008.10 18273062
-
(2008)
EMBO J
, vol.27
, pp. 727-735
-
-
Abankwa, D.1
Hanzal-Bayer, M.2
Ariotti, N.3
Plowman, S.J.4
Gorfe, A.A.5
-
56
-
-
75749150934
-
Ras membrane orientation and nanodomain localization generate isoform diversity
-
Abankwa D, Gorfe AA, Inder K, Hancock JF, Ras membrane orientation and nanodomain localization generate isoform diversity. Proc Natl Acad Sci U S A 2010;107: 1130–1135. doi: 10.1073/pnas.0903907107 20080631
-
(2010)
Proc Natl Acad Sci U S A
, vol.107
, pp. 1130-1135
-
-
Abankwa, D.1
Gorfe, A.A.2
Inder, K.3
Hancock, J.F.4
-
57
-
-
35648980477
-
Ras nanoclusters: molecular structure and assembly
-
Abankwa D, Gorfe AA, Hancock JF, Ras nanoclusters: molecular structure and assembly. Semin Cell Dev Biol 2007;18: 599–607. 17897845
-
(2007)
Semin Cell Dev Biol
, vol.18
, pp. 599-607
-
-
Abankwa, D.1
Gorfe, A.A.2
Hancock, J.F.3
-
58
-
-
78649821287
-
Segregation of negatively charged phospholipids by the polycationic and farnesylated membrane anchor of Kras
-
Janosi L, Gorfe AA, Segregation of negatively charged phospholipids by the polycationic and farnesylated membrane anchor of Kras. Biophys J 2010;99: 3666–3674 doi: 10.1016/j.bpj.2010.10.031 21112291
-
(2010)
Biophys J
, vol.99
, pp. 3666-3674
-
-
Janosi, L.1
Gorfe, A.A.2
-
59
-
-
33846823909
-
Particle mesh Ewald: An N⋅log(N) method for Ewald sums in large systems
-
Darden T, York D, Pedersen L, Particle mesh Ewald: An N⋅log(N) method for Ewald sums in large systems. J Chem Phys 1993;98: 10089–10092.
-
(1993)
J Chem Phys
, vol.98
, pp. 10089-10092
-
-
Darden, T.1
York, D.2
Pedersen, L.3
-
60
-
-
33646940952
-
Numerical integration of the Cartesian Equations of Motion of a System with Constraints: Molecular Dynamics of n-Alkanes
-
Ryckaert JP, Ciccotti G, Berendsen HJC, 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.
-
(1977)
J Comput Phys
, vol.23
, pp. 327-341
-
-
Ryckaert, J.P.1
Ciccotti, G.2
Berendsen, H.J.C.3
-
61
-
-
27344436659
-
Scalable molecular dynamics with NAMD
-
Phillips JC, Braun R, Wang W, Gumbart J, Tajkhorshid E, et al. Scalable molecular dynamics with NAMD. J Comput Chem 2005; 26: 1781–1802. 16222654
-
(2005)
J Comput Chem
, vol.26
, pp. 1781-1802
-
-
Phillips, J.C.1
Braun, R.2
Wang, W.3
Gumbart, J.4
Tajkhorshid, E.5
-
62
-
-
0041784950
-
All-Atom Empirical Potential for Molecular Modeling and Dynamics Studies of Proteins
-
MacKerell AD, Bashford D, Bellott M, Dunbrack RL, Evanseck JD, Field MJ, Fischer S, Gao J, Guo H, Ha S, Joseph-McCarthy D, Kuchnir L, Kuczera K, Lau FT, Mattos C, Michnick S, Ngo T, Nguyen DT, Prodhom B, Reiher WE, Roux B, Schlenkrich M, Smith JC, Stote R, Straub J, Watanabe M, Wiórkiewicz-Kuczera J, Yin D, Karplus M, All-Atom Empirical Potential for Molecular Modeling and Dynamics Studies of Proteins. J Phys Chem B 1998;102:586–3616.
-
(1998)
J Phys Chem B
, vol.102
, pp. 586-3616
-
-
MacKerell, A.D.1
Bashford, D.2
Bellott, M.3
Dunbrack, R.L.4
Evanseck, J.D.5
Field, M.J.6
Fischer, S.7
Gao, J.8
Guo, H.9
Ha, S.10
Joseph-McCarthy, D.11
Kuchnir, L.12
Kuczera, K.13
Lau, F.T.14
Mattos, C.15
Michnick, S.16
Ngo, T.17
Nguyen, D.T.18
Prodhom, B.19
Reiher, W.E.20
Roux, B.21
Schlenkrich, M.22
Smith, J.C.23
Stote, R.24
Straub, J.25
Watanabe, M.26
Wiórkiewicz-Kuczera, J.27
Yin, D.28
Karplus, M.29
more..
-
63
-
-
77953377650
-
Update of the CHARMM all-atom additive force field for lipids: validation on six lipid types
-
Klauda JB, Venable RM, Freites JA, O'Connor JW, Tobias DJ, et al. Update of the CHARMM all-atom additive force field for lipids: validation on six lipid types. J Phys Chem B 2010;114: 7830–7843. doi: 10.1021/jp101759q 20496934
-
(2010)
J Phys Chem B
, vol.114
, pp. 7830-7843
-
-
Klauda, J.B.1
Venable, R.M.2
Freites, J.A.3
O'Connor, J.W.4
Tobias, D.J.5
-
65
-
-
69349101503
-
Quantifying uncertainty and sampling quality in biomolecular simulations
-
Grossfield A, Zuckerman DM, Quantifying uncertainty and sampling quality in biomolecular simulations. Annu Rep Comput Chem 2009;5: 23–48. 20454547
-
(2009)
Annu Rep Comput Chem
, vol.5
, pp. 23-48
-
-
Grossfield, A.1
Zuckerman, D.M.2
-
66
-
-
84896090174
-
Dragging ras back in the ring
-
Stephen AG, Esposito D, Bagni RK, McCormick F, Dragging ras back in the ring. Cancer Cell 2014;25: 272–281. doi: 10.1016/j.ccr.2014.02.017 24651010
-
(2014)
Cancer Cell
, vol.25
, pp. 272-281
-
-
Stephen, A.G.1
Esposito, D.2
Bagni, R.K.3
McCormick, F.4
-
67
-
-
0037058913
-
Slaving: solvent fluctuations dominate protein dynamics and functions
-
Fenimore PW, Frauenfelder H, McMahon BH, Parak FG, Slaving: solvent fluctuations dominate protein dynamics and functions. Proc Natl Acad Sci U S A 2002;99: 16047–16051. 12444262
-
(2002)
Proc Natl Acad Sci U S A
, vol.99
, pp. 16047-16051
-
-
Fenimore, P.W.1
Frauenfelder, H.2
McMahon, B.H.3
Parak, F.G.4
-
68
-
-
84861179773
-
The role of conserved waters in conformational transitions of Q61H K-ras
-
Prakash P, Sayyed-Ahmad A, Gorfe AA, The role of conserved waters in conformational transitions of Q61H K-ras. PLoS Comput Biol 2012;8: e1002394. doi: 10.1371/journal.pcbi.1002394 22359497
-
(2012)
PLoS Comput Biol
, vol.8
, pp. 1002394
-
-
Prakash, P.1
Sayyed-Ahmad, A.2
Gorfe, A.A.3
-
69
-
-
80054860512
-
Analysis of Binding Site Hot Spots on the Surface of Ras GTPase
-
Buhrman G, O′Connor C, Zerbe B, Kearney BM, Napoleon R, et al. Analysis of Binding Site Hot Spots on the Surface of Ras GTPase. J Mol Biol 2011;413: 773–789. doi: 10.1016/j.jmb.2011.09.011 21945529
-
(2011)
J Mol Biol
, vol.413
, pp. 773-789
-
-
Buhrman, G.1
O′Connor, C.2
Zerbe, B.3
Kearney, B.M.4
Napoleon, R.5
-
70
-
-
80055034617
-
Novel allosteric sites on Ras for lead generation
-
Grant BJ, Lukman S, Hocker HJ, Sayyah J, Brown JH, et al. Novel allosteric sites on Ras for lead generation. PLoS One 2011;6: e25711. doi: 10.1371/journal.pone.0025711 22046245
-
(2011)
PLoS One
, vol.6
, pp. 25711
-
-
Grant, B.J.1
Lukman, S.2
Hocker, H.J.3
Sayyah, J.4
Brown, J.H.5
-
71
-
-
65249117514
-
Identifying and characterizing binding sites and assessing druggability
-
Halgren TA, Identifying and characterizing binding sites and assessing druggability. J Chem Inf Model 2009;49: 377–389. doi: 10.1021/ci800324m 19434839
-
(2009)
J Chem Inf Model
, vol.49
, pp. 377-389
-
-
Halgren, T.A.1
-
72
-
-
82255164267
-
MDpocket: open-source cavity detection and characterization on molecular dynamics trajectories
-
Schmidtke P, Bidon-Chanal A, Luque FJ, Barril X, MDpocket: open-source cavity detection and characterization on molecular dynamics trajectories. Bioinformatics 2011;27: 3276–3285. doi: 10.1093/bioinformatics/btr550 21967761
-
(2011)
Bioinformatics
, vol.27
, pp. 3276-3285
-
-
Schmidtke, P.1
Bidon-Chanal, A.2
Luque, F.J.3
Barril, X.4
-
73
-
-
84885121005
-
AutoGrow 3.0: an improved algorithm for chemically tractable, semi-automated protein inhibitor design
-
Durrant JD, Lindert S, McCammon JA, AutoGrow 3.0: an improved algorithm for chemically tractable, semi-automated protein inhibitor design. J Mol Graph Model 2013;44: 104–112. doi: 10.1016/j.jmgm.2013.05.006 23792207
-
(2013)
J Mol Graph Model
, vol.44
, pp. 104-112
-
-
Durrant, J.D.1
Lindert, S.2
McCammon, J.A.3
-
74
-
-
84875233112
-
NMR-based functional profiling of RASopathies and oncogenic RAS mutations
-
Smith MJ, Neel BG, Ikura M, NMR-based functional profiling of RASopathies and oncogenic RAS mutations. Proc Natl Acad Sci U S A 2013;110: 4574–4579. doi: 10.1073/pnas.1218173110 23487764
-
(2013)
Proc Natl Acad Sci U S A
, vol.110
, pp. 4574-4579
-
-
Smith, M.J.1
Neel, B.G.2
Ikura, M.3
|