-
1
-
-
0029593456
-
The structure of the G protein heterotrimer Gi alpha 1 beta 1 gamma 2
-
Wall M.A., Coleman D.E., Lee E., Iniguez-Lluhi J.A., Posner B.A., Gilman A.G., and Sprang S.R. The structure of the G protein heterotrimer Gi alpha 1 beta 1 gamma 2 Cell 83 1995 1047 1058
-
(1995)
Cell
, vol.83
, pp. 1047-1058
-
-
Wall, M.A.1
Coleman, D.E.2
Lee, E.3
Iniguez-Lluhi, J.A.4
Posner, B.A.5
Gilman, A.G.6
Sprang, S.R.7
-
2
-
-
0029664589
-
The 2.0 Å crystal structure of a heterotrimeric G protein
-
Lambright D.G., Sondek J., Bohm A., Skiba N.P., Hamm H.E., and Sigler P.B. The 2.0 Å crystal structure of a heterotrimeric G protein Nature 379 1996 311 319
-
(1996)
Nature
, vol.379
, pp. 311-319
-
-
Lambright, D.G.1
Sondek, J.2
Bohm, A.3
Skiba, N.P.4
Hamm, H.E.5
Sigler, P.B.6
-
3
-
-
77956373483
-
Structural basis for the specific inhibition of heterotrimeric Gq protein by a small molecule
-
Nishimura A., Kitano K., Takasaki J., Taniguchi M., Mizuno N., and Tago K. Structural basis for the specific inhibition of heterotrimeric Gq protein by a small molecule Proc. Natl Acad. Sci. USA 107 2010 13666 13671
-
(2010)
Proc. Natl Acad. Sci. USA
, vol.107
, pp. 13666-13671
-
-
Nishimura, A.1
Kitano, K.2
Takasaki, J.3
Taniguchi, M.4
Mizuno, N.5
Tago, K.6
-
4
-
-
33748355624
-
Probing the activation-promoted structural rearrangements in preassembled receptor-G protein complexes
-
DOI 10.1038/nsmb1134, PII NSMB1134
-
Gales C., Van Durm J.J., Schaak S., Pontier S., Percherancier Y., and Audet M. Probing the activation-promoted structural rearrangements in preassembled receptor-G protein complexes Nat. Struct. Mol. Biol. 13 2006 778 786 (Pubitemid 44338771)
-
(2006)
Nature Structural and Molecular Biology
, vol.13
, Issue.9
, pp. 778-786
-
-
Gales, C.1
Van Durm, J.J.J.2
Schaak, S.3
Pontier, S.4
Percherancier, Y.5
Audet, M.6
Paris, H.7
Bouvier, M.8
-
5
-
-
33750702165
-
Structural basis of function in heterotrimeric G proteins
-
DOI 10.1017/S0033583506004306, PII S0033583506004306
-
Oldham W.M., and Hamm H.E. Structural basis of function in heterotrimeric G proteins Q. Rev. Biophys. 39 2006 117 166 (Pubitemid 44706968)
-
(2006)
Quarterly Reviews of Biophysics
, vol.39
, Issue.2
, pp. 117-166
-
-
Oldham, W.M.1
Hamm, H.E.2
-
6
-
-
34548439826
-
How do Receptors Activate G Proteins?
-
DOI 10.1016/S0065-3233(07)74002-0, PII S0065323307740020, Mechanisms and Pathways of Heterotrimeric G Protein Signaling
-
Oldham W.M., and Hamm H.E. How do receptors activate G proteins? Adv. Protein Chem. 74 2007 67 93 (Pubitemid 47369747)
-
(2007)
Advances in Protein Chemistry
, vol.74
, pp. 67-93
-
-
Oldham, W.M.1
Hamm, H.E.2
-
7
-
-
33748352984
-
Mechanism of the receptor-catalyzed activation of heterotrimeric G proteins
-
DOI 10.1038/nsmb1129, PII NSMB1129
-
Oldham W.M., Van Eps N., Preininger A.M., Hubbell W.L., and Hamm H.E. Mechanism of the receptor-catalyzed activation of heterotrimeric G proteins Nat. Struct. Mol. Biol. 13 2006 772 777 (Pubitemid 44338770)
-
(2006)
Nature Structural and Molecular Biology
, vol.13
, Issue.9
, pp. 772-777
-
-
Oldham, W.M.1
Van Eps, N.2
Preininger, A.M.3
Hubbell, W.L.4
Hamm, H.E.5
-
8
-
-
33750831488
-
Structural and dynamical changes in an α-subunit of a heterotrimeric G protein along the activation pathway
-
DOI 10.1073/pnas.0607972103
-
Van Eps N., Oldham W.M., Hamm H.E., and Hubbell W.L. Structural and dynamical changes in an alpha-subunit of a heterotrimeric G protein along the activation pathway Proc. Natl Acad. Sci. USA 103 2006 16194 16199 (Pubitemid 44715173)
-
(2006)
Proceedings of the National Academy of Sciences of the United States of America
, vol.103
, Issue.44
, pp. 16194-16199
-
-
Van Eps, N.1
Oldham, W.M.2
Hamm, H.E.3
Hubbell, W.L.4
-
9
-
-
1842851911
-
Molecular dynamics simulations of transducin: Interdomain and front to back communication in activation and nucleotide exchange
-
DOI 10.1016/j.jmb.2004.02.064, PII S0022283604002566
-
Ceruso M.A., Periole X., and Weinstein H. Molecular dynamics simulations of transducin: interdomain and front to back communication in activation and nucleotide exchange J. Mol. Biol. 338 2004 469 481 (Pubitemid 38488793)
-
(2004)
Journal of Molecular Biology
, vol.338
, Issue.3
, pp. 469-481
-
-
Ceruso, M.A.1
Periole, X.2
Weinstein, H.3
-
10
-
-
41549137044
-
Mechanisms of inter- and intramolecular communication in GPCRs and G proteins
-
DOI 10.1021/ja077268b
-
Raimondi F., Seeber M., Benedetti P.G., and Fanelli F. Mechanisms of inter- and intramolecular communication in GPCRs and G proteins J. Am. Chem. Soc. 130 2008 4310 4325 (Pubitemid 351467662)
-
(2008)
Journal of the American Chemical Society
, vol.130
, Issue.13
, pp. 4310-4325
-
-
Raimondi, F.1
Seeber, M.2
De Benedetti, P.G.3
Fanelli, F.4
-
11
-
-
66149189210
-
G protein inactive and active forms investigated by simulation methods
-
Khafizov K., Lattanzi G., and Carloni P. G protein inactive and active forms investigated by simulation methods Proteins 75 2009 919 930
-
(2009)
Proteins
, vol.75
, pp. 919-930
-
-
Khafizov, K.1
Lattanzi, G.2
Carloni, P.3
-
13
-
-
77949634796
-
Normal mode analysis of biomolecular structures: Functional mechanisms of membrane proteins
-
Bahar I., Lezon T.R., Bakan A., and Shrivastava I.H. Normal mode analysis of biomolecular structures: functional mechanisms of membrane proteins Chem. Rev. 110 2009 1463 1497
-
(2009)
Chem. Rev.
, vol.110
, pp. 1463-1497
-
-
Bahar, I.1
Lezon, T.R.2
Bakan, A.3
Shrivastava, I.H.4
-
14
-
-
77952938726
-
Global dynamics of proteins: Bridging between structure and function
-
Bahar I., Lezon T.R., Yang L.W., and Eyal E. Global dynamics of proteins: bridging between structure and function Annu. Rev. Biophys. 39 2010 23 42
-
(2010)
Annu. Rev. Biophys.
, vol.39
, pp. 23-42
-
-
Bahar, I.1
Lezon, T.R.2
Yang, L.W.3
Eyal, E.4
-
16
-
-
51249115387
-
Human thrombospondin's (TSP-1) C-terminal domain opens to interact with the CD-47 receptor: A molecular modeling study
-
Floquet N., Dedieu S., Martiny L., Dauchez M., and Perahia D. Human thrombospondin's (TSP-1) C-terminal domain opens to interact with the CD-47 receptor: a molecular modeling study Arch. Biochem. Biophys. 478 2008 103 109
-
(2008)
Arch. Biochem. Biophys.
, vol.478
, pp. 103-109
-
-
Floquet, N.1
Dedieu, S.2
Martiny, L.3
Dauchez, M.4
Perahia, D.5
-
17
-
-
58149103168
-
Collective motions in glucosamine-6-phosphate synthase: Influence of ligand binding and role in ammonia channelling and opening of the fructose-6-phosphate binding site
-
Floquet N., Durand P., Maigret B., Badet B., Badet-Denisot M.A., and Perahia D. Collective motions in glucosamine-6-phosphate synthase: influence of ligand binding and role in ammonia channelling and opening of the fructose-6-phosphate binding site J. Mol. Biol. 385 2009 653 664
-
(2009)
J. Mol. Biol.
, vol.385
, pp. 653-664
-
-
Floquet, N.1
Durand, P.2
Maigret, B.3
Badet, B.4
Badet-Denisot, M.A.5
Perahia, D.6
-
18
-
-
33748759844
-
Normal mode analysis as a prerequisite for drug design: Application to matrix metalloproteinases inhibitors
-
DOI 10.1016/j.febslet.2006.08.037, PII S0014579306010131
-
Floquet N., Marechal J.D., Badet-Denisot M.A., Robert C.H., Dauchez M., and Perahia D. Normal mode analysis as a prerequisite for drug design: application to matrix metalloproteinases inhibitors FEBS Lett. 580 2006 5130 5136 (Pubitemid 44415782)
-
(2006)
FEBS Letters
, vol.580
, Issue.22
, pp. 5130-5136
-
-
Floquet, N.1
Marechal, J.-D.2
Badet-Denisot, M.-A.3
Robert, C.H.4
Dauchez, M.5
Perahia, D.6
-
19
-
-
73649109875
-
Activation of the ghrelin receptor is described by a privileged collective motion: A model for constitutive and agonist-induced activation of a sub-class A G-protein coupled receptor (GPCR)
-
Floquet N., M'Kadmi C., Perahia D., Gagne D., Berge G., and Marie J. Activation of the ghrelin receptor is described by a privileged collective motion: a model for constitutive and agonist-induced activation of a sub-class A G-protein coupled receptor (GPCR) J. Mol. Biol. 395 2010 769 784
-
(2010)
J. Mol. Biol.
, vol.395
, pp. 769-784
-
-
Floquet, N.1
M'Kadmi, C.2
Perahia, D.3
Gagne, D.4
Berge, G.5
Marie, J.6
-
20
-
-
33748538349
-
Automatic atom type and bond type perception in molecular mechanical calculations
-
DOI 10.1016/j.jmgm.2005.12.005, PII S1093326305001737
-
Wang J., Wang W., Kollman P.A., and Case D.A. Automatic atom type and bond type perception in molecular mechanical calculations J. Mol. Graphics Modell. 25 2006 247 260 (Pubitemid 44363172)
-
(2006)
Journal of Molecular Graphics and Modelling
, vol.25
, Issue.2
, pp. 247-260
-
-
Wang, J.1
Wang, W.2
Kollman, P.A.3
Case, D.A.4
-
21
-
-
2942532422
-
Development and testing of a general amber force field
-
Wang J., Wolf R.M., Caldwell J.W., Kollman P.A., and Case D.A. Development and testing of a general amber force field J. Comput. Chem. 25 2004 1157 1174
-
(2004)
J. Comput. Chem.
, vol.25
, pp. 1157-1174
-
-
Wang, J.1
Wolf, R.M.2
Caldwell, J.W.3
Kollman, P.A.4
Case, D.A.5
-
22
-
-
33847413103
-
Structure and dynamics of the full-length lipid-modified H-Ras protein in a 1,2-dimyristoylglycero-3-phosphocholine bilayer
-
DOI 10.1021/jm061053f
-
Gorfe A.A., Hanzal-Bayer M., Abankwa D., Hancock J.F., and McCammon J.A. Structure and dynamics of the full-length lipid-modified H-Ras protein in a 1,2-dimyristoylglycero-3-phosphocholine bilayer J. Med. Chem. 50 2007 674 684 (Pubitemid 46332980)
-
(2007)
Journal of Medicinal Chemistry
, vol.50
, Issue.4
, pp. 674-684
-
-
Gorfe, A.A.1
Hanzal-Bayer, M.2
Abankwa, D.3
Hancock, J.F.4
McCammon, J.A.5
-
23
-
-
71949127119
-
Two Galpha(i1) rate-modifying mutations act in concert to allow receptor-independent, steady-state measurements of RGS protein activity
-
Zielinski T., Kimple A.J., Hutsell S.Q., Koeff M.D., Siderovski D.P., and Lowery R.G. Two Galpha(i1) rate-modifying mutations act in concert to allow receptor-independent, steady-state measurements of RGS protein activity J. Biomol. Screening 14 2009 1195 1206
-
(2009)
J. Biomol. Screening
, vol.14
, pp. 1195-1206
-
-
Zielinski, T.1
Kimple, A.J.2
Hutsell, S.Q.3
Koeff, M.D.4
Siderovski, D.P.5
Lowery, R.G.6
-
24
-
-
0027965652
-
Structures of active conformations of Gi alpha 1 and the mechanism of GTP hydrolysis
-
Coleman D.E., Berghuis A.M., Lee E., Linder M.E., Gilman A.G., and Sprang S.R. Structures of active conformations of Gi alpha 1 and the mechanism of GTP hydrolysis Science 265 1994 1405 1412
-
(1994)
Science
, vol.265
, pp. 1405-1412
-
-
Coleman, D.E.1
Berghuis, A.M.2
Lee, E.3
Linder, M.E.4
Gilman, A.G.5
Sprang, S.R.6
-
25
-
-
70349810683
-
Structural evidence for a sequential release mechanism for activation of heterotrimeric G proteins
-
Kapoor N., Menon S.T., Chauhan R., Sachdev P., and Sakmar T.P. Structural evidence for a sequential release mechanism for activation of heterotrimeric G proteins J. Mol. Biol. 393 2009 882 897
-
(2009)
J. Mol. Biol.
, vol.393
, pp. 882-897
-
-
Kapoor, N.1
Menon, S.T.2
Chauhan, R.3
Sachdev, P.4
Sakmar, T.P.5
-
26
-
-
0032514722
-
2+: A crystallographic titration experiment
-
DOI 10.1021/bi9810306
-
2+: a crystallographic titration experiment Biochemistry 37 1998 14376 14385 (Pubitemid 28489043)
-
(1998)
Biochemistry
, vol.37
, Issue.41
, pp. 14376-14385
-
-
Coleman, D.E.1
Sprang, S.R.2
-
27
-
-
23444454552
-
The Amber biomolecular simulation programs
-
DOI 10.1002/jcc.20290
-
Case D.A., Cheatham T.E. III, Darden T., Gohlke H., Luo R., and Merz K.M. Jr. The Amber biomolecular simulation programs J. Comput. Chem. 26 2005 1668 1688 (Pubitemid 43076180)
-
(2005)
Journal of Computational Chemistry
, vol.26
, Issue.16
, pp. 1668-1688
-
-
Case, D.A.1
Cheatham III, T.E.2
Darden, T.3
Gohlke, H.4
Luo, R.5
Merz Jr., K.M.6
Onufriev, A.7
Simmerling, C.8
Wang, B.9
Woods, R.J.10
-
28
-
-
77949382914
-
Consensus modes, a robust description of protein collective motions from multiple-minima normal mode analysis-application to the HIV-1 protease
-
Batista P.R., Robert C.H., Marechal J.D., Hamida-Rebai M.B., Pascutti P.G., Bisch P.M., and Perahia D. Consensus modes, a robust description of protein collective motions from multiple-minima normal mode analysis-application to the HIV-1 protease Phys. Chem. Chem. Phys. 12 2010 2850 2859
-
(2010)
Phys. Chem. Chem. Phys.
, vol.12
, pp. 2850-2859
-
-
Batista, P.R.1
Robert, C.H.2
Marechal, J.D.3
Hamida-Rebai, M.B.4
Pascutti, P.G.5
Bisch, P.M.6
Perahia, D.7
-
29
-
-
37549016836
-
Heterotrimeric G protein activation by G-protein-coupled receptors
-
Oldham W.M., and Hamm H.E. Heterotrimeric G protein activation by G-protein-coupled receptors Nat. Rev., Mol. Cell Biol. 9 2008 60 71
-
(2008)
Nat. Rev., Mol. Cell Biol.
, vol.9
, pp. 60-71
-
-
Oldham, W.M.1
Hamm, H.E.2
-
30
-
-
0032006209
-
Systematic analysis of domain motions in proteins from conformational change: New results on citrate synthase and T4 lysozyme
-
DOI 10.1002/(SICI)1097-0134(19980201)30:2<144::AID-PROT4>3.0.CO;2-N
-
Hayward S., and Berendsen H.J. Systematic analysis of domain motions in proteins from conformational change: new results on citrate synthase and T4 lysozyme Proteins 30 1998 144 154 (Pubitemid 28080149)
-
(1998)
Proteins: Structure, Function and Genetics
, vol.30
, Issue.2
, pp. 144-154
-
-
Hayward, S.1
Berendsen, H.J.C.2
-
31
-
-
0032557490
-
Molecular basis for interactions of G protein β subunits with effectors
-
DOI 10.1126/science.280.5367.1271
-
Ford C.E., Skiba N.P., Bae H., Daaka Y., Reuveny E., and Shekter L.R. Molecular basis for interactions of G protein betagamma subunits with effectors Science 280 1998 1271 1274 (Pubitemid 28269623)
-
(1998)
Science
, vol.280
, Issue.5367
, pp. 1271-1274
-
-
Ford, C.E.1
Skiba, N.P.2
Bae, H.3
Daaka, Y.4
Reuveny, E.5
Shekter, L.R.6
Rosal, R.7
Weng, G.8
Yang, C.-S.9
Iyengar, R.10
Miller, R.J.11
Jan, L.Y.12
Lefkowitz, R.J.13
Hamm, H.E.14
-
32
-
-
0037221946
-
Activation of G-protein Gα subunits by receptors through Gα-Gβ and Gα-Gγ interactions
-
DOI 10.1016/S0968-0004(02)00006-3, PII S0968000402000063
-
Cherfils J., and Chabre M. Activation of G-protein Galpha subunits by receptors through Galpha-Gbeta and Galpha-Ggamma interactions Trends Biochem. Sci. 28 2003 13 17 (Pubitemid 36051001)
-
(2003)
Trends in Biochemical Sciences
, vol.28
, Issue.1
, pp. 13-17
-
-
Cherfils, J.1
Chabre, M.2
-
33
-
-
0032474767
-
G-protein diseases furnish a model for the turn-on switch
-
DOI 10.1038/27831
-
Iiri T., Farfel Z., and Bourne H.R. G-protein diseases furnish a model for the turn-on switch Nature 394 1998 35 38 (Pubitemid 28321792)
-
(1998)
Nature
, vol.394
, Issue.6688
, pp. 35-38
-
-
Iiri, T.1
Farfel, Z.2
Bourne, H.R.3
-
34
-
-
0344995242
-
Interdomain interactions regulate GDP release from heterotrimeric G proteins
-
DOI 10.1021/bi990887f
-
Remmers A.E., Engel C., Liu M., and Neubig R.R. Interdomain interactions regulate GDP release from heterotrimeric G proteins Biochemistry 38 1999 13795 13800 (Pubitemid 29504209)
-
(1999)
Biochemistry
, vol.38
, Issue.42
, pp. 13795-13800
-
-
Remmers, A.E.1
Engel, C.2
Liu, M.3
Neubig, R.R.4
-
35
-
-
4544338193
-
Perturbing the linker regions of the α-subunit of transducin. A new class of constitutively active GTP-binding proteins
-
DOI 10.1074/jbc.M405420200
-
Majumdar S., Ramachandran S., and Cerione R.A. Perturbing the linker regions of the alpha-subunit of transducin: a new class of constitutively active GTP-binding proteins J. Biol. Chem. 279 2004 40137 40145 (Pubitemid 39258289)
-
(2004)
Journal of Biological Chemistry
, vol.279
, Issue.38
, pp. 40137-40145
-
-
Majumdar, S.1
Ramachandran, S.2
Cerione, R.A.3
-
36
-
-
30144445198
-
12/13 proteins
-
DOI 10.1021/bi051729t
-
Kreutz B., Yau D.M., Nance M.R., Tanabe S., Tesmer J.J., and Kozasa T. A new approach to producing functional G alpha subunits yields the activated and deactivated structures of G alpha(12/13) proteins Biochemistry 45 2006 167 174 (Pubitemid 43054094)
-
(2006)
Biochemistry
, vol.45
, Issue.1
, pp. 167-174
-
-
Kreutz, B.1
Yau, D.M.2
Nance, M.R.3
Tanabe, S.4
Tesmer, J.J.G.5
Kozasa, T.6
-
37
-
-
0028862026
-
Tertiary and quaternary structural changes in Gi alpha 1 induced by GTP hydrolysis
-
Mixon M.B., Lee E., Coleman D.E., Berghuis A.M., Gilman A.G., and Sprang S.R. Tertiary and quaternary structural changes in Gi alpha 1 induced by GTP hydrolysis Science 270 1995 954 960
-
(1995)
Science
, vol.270
, pp. 954-960
-
-
Mixon, M.B.1
Lee, E.2
Coleman, D.E.3
Berghuis, A.M.4
Gilman, A.G.5
Sprang, S.R.6
-
38
-
-
33646379375
-
Conformational changes associated with receptor-stimulated guanine nucleotide exchange in a heterotrimeric G-protein α-subunit: NMR analysis of GTPγS-bound states
-
DOI 10.1074/jbc.M509851200
-
Ridge K.D., Abdulaev N.G., Zhang C., Ngo T., Brabazon D.M., and Marino J.P. Conformational changes associated with receptor-stimulated guanine nucleotide exchange in a heterotrimeric G-protein alpha-subunit: NMR analysis of GTPgammaS-bound states J. Biol. Chem. 281 2006 7635 7648 (Pubitemid 43847534)
-
(2006)
Journal of Biological Chemistry
, vol.281
, Issue.11
, pp. 7635-7648
-
-
Ridge, K.D.1
Abdulaev, N.G.2
Zhang, C.3
Ngo, T.4
Brabazon, D.M.5
Marino, J.P.6
-
39
-
-
34249943514
-
Mapping allosteric connections from the receptor to the nucleotide-binding pocket of heterotrimeric G proteins
-
DOI 10.1073/pnas.0702623104
-
Oldham W.M., Van Eps N., Preininger A.M., Hubbell W.L., and Hamm H.E. Mapping allosteric connections from the receptor to the nucleotide-binding pocket of heterotrimeric G proteins Proc. Natl Acad. Sci. USA 104 2007 7927 7932 (Pubitemid 47185853)
-
(2007)
Proceedings of the National Academy of Sciences of the United States of America
, vol.104
, Issue.19
, pp. 7927-7932
-
-
Oldham, W.M.1
Van Eps, N.2
Preininger, A.M.3
Hubbell, W.L.4
Hamm, H.E.5
-
40
-
-
52949102889
-
Crystal structure of opsin in its G-protein-interacting conformation
-
Scheerer P., Park J.H., Hildebrand P.W., Kim Y.J., Krauss N., and Choe H.W. Crystal structure of opsin in its G-protein-interacting conformation Nature 455 2008 497 502
-
(2008)
Nature
, vol.455
, pp. 497-502
-
-
Scheerer, P.1
Park, J.H.2
Hildebrand, P.W.3
Kim, Y.J.4
Krauss, N.5
Choe, H.W.6
-
41
-
-
0036385914
-
Structure and orientation of a G protein fragment in the receptor bound state from residual dipolar couplings
-
Koenig B.W., Kontaxis G., Mitchell D.C., Louis J.M., Litman B.J., and Bax A. Structure and orientation of a G protein fragment in the receptor bound state from residual dipolar couplings J. Mol. Biol. 322 2002 441 461
-
(2002)
J. Mol. Biol.
, vol.322
, pp. 441-461
-
-
Koenig, B.W.1
Kontaxis, G.2
Mitchell, D.C.3
Louis, J.M.4
Litman, B.J.5
Bax, A.6
-
43
-
-
0035003803
-
Steered molecular dynamics investigations of protein function
-
DOI 10.1016/S1093-3263(00)00133-9, PII S1093326300001339
-
Isralewitz B., Baudry J., Gullingsrud J., Kosztin D., and Schulten K. Steered molecular dynamics investigations of protein function J. Mol. Graphics Modell. 19 2001 13 25 (Pubitemid 32411500)
-
(2001)
Journal of Molecular Graphics and Modelling
, vol.19
, Issue.1
, pp. 13-25
-
-
Isralewitz, B.1
Baudry, J.2
Gullingsrud, J.3
Kosztin, D.4
Schulten, K.5
-
44
-
-
0035312645
-
Steered molecular dynamics and mechanical functions of proteins
-
DOI 10.1016/S0959-440X(00)00194-9
-
Isralewitz B., Gao M., and Schulten K. Steered molecular dynamics and mechanical functions of proteins Curr. Opin. Struct. Biol. 11 2001 224 230 (Pubitemid 32289426)
-
(2001)
Current Opinion in Structural Biology
, vol.11
, Issue.2
, pp. 224-230
-
-
Isralewitz, B.1
Gao, M.2
Schulten, K.3
-
45
-
-
61449106774
-
Principal component analysis of native ensembles of biomolecular structures (PCA-NEST): Insights into functional dynamics
-
Yang L., Eyal E., Bahar I., and Kitao A. Principal component analysis of native ensembles of biomolecular structures (PCA-NEST): insights into functional dynamics Bioinformatics 25 2009 606 614
-
(2009)
Bioinformatics
, vol.25
, pp. 606-614
-
-
Yang, L.1
Eyal, E.2
Bahar, I.3
Kitao, A.4
-
46
-
-
0030043598
-
Mapping of effector binding sites of transducin alpha-subunit using G alpha t/G alpha i1 chimeras
-
Skiba N.P., Bae H., and Hamm H.E. Mapping of effector binding sites of transducin alpha-subunit using G alpha t/G alpha i1 chimeras J. Biol. Chem. 271 1996 413 424
-
(1996)
J. Biol. Chem.
, vol.271
, pp. 413-424
-
-
Skiba, N.P.1
Bae, H.2
Hamm, H.E.3
-
47
-
-
27344436659
-
Scalable molecular dynamics with NAMD
-
DOI 10.1002/jcc.20289
-
Phillips J.C., Braun R., Wang W., Gumbart J., Tajkhorshid E., and Villa E. Scalable molecular dynamics with NAMD J. Comput. Chem. 26 2005 1781 1802 (Pubitemid 43078511)
-
(2005)
Journal of Computational Chemistry
, vol.26
, Issue.16
, pp. 1781-1802
-
-
Phillips, J.C.1
Braun, R.2
Wang, W.3
Gumbart, J.4
Tajkhorshid, E.5
Villa, E.6
Chipot, C.7
Skeel, R.D.8
Kale, L.9
Schulten, K.10
-
48
-
-
0041784950
-
All-atom empirical potential for molecular modeling and dynamics studies of proteins
-
MacKerell A.D. Jr., Bashford D., Bellott M., Dunbrack R.L., Evanseck J., and Field M.J. All-hydrogen empirical potential for molecular modeling and dynamics studies of proteins using the CHARMM22 force field J. Phys. Chem. B 102 1998 3586 3616 (Pubitemid 128576688)
-
(1998)
Journal of Physical Chemistry B
, vol.102
, Issue.18
, pp. 3586-3616
-
-
MacKerell Jr., A.D.1
Bashford, D.2
Bellott, M.3
Dunbrack Jr., 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.K.14
Mattos, C.15
Michnick, S.16
Ngo, T.17
Nguyen, D.T.18
Prodhom, B.19
Reiher III, W.E.20
Roux, B.21
Schlenkrich, M.22
Smith, J.C.23
Stote, R.24
Straub, J.25
Watanabe, M.26
Wiorkiewicz-Kuczera, J.27
Yin, D.28
Karplus, M.29
more..
-
49
-
-
3142714765
-
Extending the treatment of backbone energetics in protein force fields: Limitations of gas-phase quantum mechanics in reproducing protein conformational distributions in molecular dynamics simulations
-
MacKerell A.D. Jr., Feig M., and Brooks C.L. III Extending the treatment of backbone energetics in protein force fields: limitations of gas-phase quantum mechanics in reproducing protein conformational distributions in molecular dynamics simulations J. Comput. Chem. 25 2004 1400 1415
-
(2004)
J. Comput. Chem.
, vol.25
, pp. 1400-1415
-
-
MacKerell, Jr.A.D.1
Feig, M.2
Brooks Iii, C.L.3
-
50
-
-
0004016501
-
Comparison of simple potential functions for simulating liquid water
-
Jorgensen W.L., Chandrasekhar J., Madura J.D., Impey R.W., and Klein M.L. Comparison of simple potential functions for simulating liquid water J. Chem. Phys. 79 1983 926 935
-
(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
-
51
-
-
0033104039
-
New tricks for modelers from the crystallography toolkit: The particle mesh Ewald algorithm and its use in nucleic acid simulations
-
Darden T., Perera L., Li L., and Pedersen L. New tricks for modelers from the crystallography toolkit: the particle mesh Ewald algorithm and its use in nucleic acid simulations Structure 7 1999 R55 R60
-
(1999)
Structure
-
-
Darden, T.1
Perera, L.2
Li, L.3
Pedersen, L.4
-
53
-
-
0038713404
-
Mechanisms of selectivity in channels and enzymes studied with interactive molecular dynamics
-
Grayson P., Tajkhorshid E., and Schulten K. Mechanisms of selectivity in channels and enzymes studied with interactive molecular dynamics Biophys. J. 85 2003 36 48 (Pubitemid 36763510)
-
(2003)
Biophysical Journal
, vol.85
, Issue.1
, pp. 36-48
-
-
Grayson, P.1
Tajkhorshid, E.2
Schulten, K.3
-
55
-
-
0029374782
-
Computation of low-frequency normal modes in macromolecules: Improvements to the method of diagonalization in a mixed basis and application to hemoglobin
-
Perahia D., and Mouawad L. Computation of low-frequency normal modes in macromolecules: improvements to the method of diagonalization in a mixed basis and application to hemoglobin Comput. Chem. 19 1995 241 246
-
(1995)
Comput. Chem.
, vol.19
, pp. 241-246
-
-
Perahia, D.1
Mouawad, L.2
-
56
-
-
67650500988
-
CHARMM: The biomolecular simulation program
-
Brooks B.R., Brooks C.L. III, MacKerell A.D. Jr., Nilsson L., Petrella R.J., and Roux B. CHARMM: the biomolecular simulation program J. Comput. Chem. 30 2009 1545 1614
-
(2009)
J. Comput. Chem.
, vol.30
, pp. 1545-1614
-
-
Brooks, B.R.1
Brooks Iii, C.L.2
MacKerell, Jr.A.D.3
Nilsson, L.4
Petrella, R.J.5
Roux, B.6
-
57
-
-
0014054519
-
The detection of disease clustering and a generalized regression approach
-
Mantel N. The detection of disease clustering and a generalized regression approach Cancer Res. 27 1967 209 220
-
(1967)
Cancer Res.
, vol.27
, pp. 209-220
-
-
Mantel, N.1
|