-
1
-
-
0036066762
-
The safety, plasma pharmacokinetics, and antiviral activity of subcutaneous enfuvirtide (T-20), a peptide inhibitor of gp41-mediated virus fusion, in HIV-infected adults
-
Kilby J.M., Lalezari J.P., Eron J.J., Carlson M., Cohen C., Arduino R.C., Goodgame J.C., Gallant J.E., Volberding P., Murphy R.L., Valentine F., Saag M.S., Nelson E.L., Sista P.R., Dusek A. The safety, plasma pharmacokinetics, and antiviral activity of subcutaneous enfuvirtide (T-20), a peptide inhibitor of gp41-mediated virus fusion, in HIV-infected adults. AIDS Res. Hum. Retroviruses 2002, 18:685-693.
-
(2002)
AIDS Res. Hum. Retroviruses
, vol.18
, pp. 685-693
-
-
Kilby, J.M.1
Lalezari, J.P.2
Eron, J.J.3
Carlson, M.4
Cohen, C.5
Arduino, R.C.6
Goodgame, J.C.7
Gallant, J.E.8
Volberding, P.9
Murphy, R.L.10
Valentine, F.11
Saag, M.S.12
Nelson, E.L.13
Sista, P.R.14
Dusek, A.15
-
2
-
-
0038187684
-
Novel therapies based on mechanisms of HIV-1 cell entry
-
Kilby J.M., Eron J.J. Novel therapies based on mechanisms of HIV-1 cell entry. N. Engl. J. Med. 2003, 348:2228-2238.
-
(2003)
N. Engl. J. Med.
, vol.348
, pp. 2228-2238
-
-
Kilby, J.M.1
Eron, J.J.2
-
3
-
-
15844389650
-
HIV-1 entry into CD4+ cells is mediated by the chemokine receptor CC-CKR-5
-
Dragic T., Litwin V., Allaway G.P., Martin S.R., Huang Y., Nagashima K.A., Cayanan C., Maddon P.J., Koup R.A., Moore J.P., Paxton W.A. HIV-1 entry into CD4+ cells is mediated by the chemokine receptor CC-CKR-5. Nature 1996, 381:667-673.
-
(1996)
Nature
, vol.381
, pp. 667-673
-
-
Dragic, T.1
Litwin, V.2
Allaway, G.P.3
Martin, S.R.4
Huang, Y.5
Nagashima, K.A.6
Cayanan, C.7
Maddon, P.J.8
Koup, R.A.9
Moore, J.P.10
Paxton, W.A.11
-
4
-
-
0030002637
-
HIV-1 entry cofactor: functional cDNA cloning of a seven-transmembrane, G protein coupled receptor
-
Feng Y., Broder C.C., Kennedy P.E., Berger E.A. HIV-1 entry cofactor: functional cDNA cloning of a seven-transmembrane, G protein coupled receptor. Science 1996, 272:872-877.
-
(1996)
Science
, vol.272
, pp. 872-877
-
-
Feng, Y.1
Broder, C.C.2
Kennedy, P.E.3
Berger, E.A.4
-
5
-
-
0037381269
-
The structural biology of type I viral membrane fusion
-
Colman P.M., Lawrence M.C. The structural biology of type I viral membrane fusion. Nat. Rev. Mol. Cell Biol. 2003, 4:309-319.
-
(2003)
Nat. Rev. Mol. Cell Biol.
, vol.4
, pp. 309-319
-
-
Colman, P.M.1
Lawrence, M.C.2
-
6
-
-
0036223198
-
Peptide and non-peptide HIV fusion inhibitors
-
Jiang S., Zhao Q., Debnath A.K. Peptide and non-peptide HIV fusion inhibitors. Curr. Pharm. Des. 2002, 8:563-580.
-
(2002)
Curr. Pharm. Des.
, vol.8
, pp. 563-580
-
-
Jiang, S.1
Zhao, Q.2
Debnath, A.K.3
-
7
-
-
0031729823
-
Potent suppression of HIV-1 replication in humans by T-20, a peptide inhibitor of gp41-mediated virus entry
-
Kilby J.M., Hopkins S., Venetta T.M., DiMassimo B., Cloud G.A., Lee J.Y., Alldredge L., Hunter E., Lambert D., Bolognesi D., Matthews T., Johnson M.R., Nowak M.A., Shaw G.M., Saag M.S. Potent suppression of HIV-1 replication in humans by T-20, a peptide inhibitor of gp41-mediated virus entry. Nat. Med. 1998, 4:1302-1307.
-
(1998)
Nat. Med.
, vol.4
, pp. 1302-1307
-
-
Kilby, J.M.1
Hopkins, S.2
Venetta, T.M.3
DiMassimo, B.4
Cloud, G.A.5
Lee, J.Y.6
Alldredge, L.7
Hunter, E.8
Lambert, D.9
Bolognesi, D.10
Matthews, T.11
Johnson, M.R.12
Nowak, M.A.13
Shaw, G.M.14
Saag, M.S.15
-
8
-
-
0027378573
-
A conserved neutralizing epitope on gp41 of human immunodeficiency virus type 1
-
Muster T., Steindl F., Purtscher M., Trkola A., Klima A., Himmler G., Ruker F., Katinger H. A conserved neutralizing epitope on gp41 of human immunodeficiency virus type 1. J. Virol. 1993, 67:6642-6647.
-
(1993)
J. Virol.
, vol.67
, pp. 6642-6647
-
-
Muster, T.1
Steindl, F.2
Purtscher, M.3
Trkola, A.4
Klima, A.5
Himmler, G.6
Ruker, F.7
Katinger, H.8
-
9
-
-
0035701421
-
A potent cross-clade neutralizing human monoclonal antibody against a novel epitope on gp41 of human immunodeficiency virus type 1
-
Stiegler G., Kunert R., Purtscher M., Wolbank S., Voglauer R., Steindl F., Katinger H. A potent cross-clade neutralizing human monoclonal antibody against a novel epitope on gp41 of human immunodeficiency virus type 1. AIDS Res. Hum. Retroviruses 2001, 17:1757-1765.
-
(2001)
AIDS Res. Hum. Retroviruses
, vol.17
, pp. 1757-1765
-
-
Stiegler, G.1
Kunert, R.2
Purtscher, M.3
Wolbank, S.4
Voglauer, R.5
Steindl, F.6
Katinger, H.7
-
10
-
-
26644434120
-
The 2F5 epitope is helical in the HIV-1 entry inhibitor T-20
-
Zohar B., Khare S., Quadt S.R., Hayek Y., Naider F., Angliste J. The 2F5 epitope is helical in the HIV-1 entry inhibitor T-20. Biochemistry 2005, 44:13602-13611.
-
(2005)
Biochemistry
, vol.44
, pp. 13602-13611
-
-
Zohar, B.1
Khare, S.2
Quadt, S.R.3
Hayek, Y.4
Naider, F.5
Angliste, J.6
-
11
-
-
8844228894
-
HIV fusion inhibitor peptide T-1249 is able to insert or adsorb to lipidic bilayers. Putative correlation with improved efficiency
-
Veiga A.S., Santos N.C., Loura L.M.S., Fedorov A., Castanho M.A. HIV fusion inhibitor peptide T-1249 is able to insert or adsorb to lipidic bilayers. Putative correlation with improved efficiency. J. Am. Chem. Soc. 2004, 126:14758-14763.
-
(2004)
J. Am. Chem. Soc.
, vol.126
, pp. 14758-14763
-
-
Veiga, A.S.1
Santos, N.C.2
Loura, L.M.S.3
Fedorov, A.4
Castanho, M.A.5
-
12
-
-
1642494594
-
Putative role of membranes in the HIV fusion inhibitor enfuvirtide mode of action at the molecular level
-
Veiga S., Henriques S., Santos N.C., Castanho M. Putative role of membranes in the HIV fusion inhibitor enfuvirtide mode of action at the molecular level. Biochem. J. 2004, 377:107-110.
-
(2004)
Biochem. J.
, vol.377
, pp. 107-110
-
-
Veiga, S.1
Henriques, S.2
Santos, N.C.3
Castanho, M.4
-
13
-
-
0037230970
-
Implicit solvent models for flexible protein-protein docking by molecular dynamics simulation
-
Wang T., Wade R.C. Implicit solvent models for flexible protein-protein docking by molecular dynamics simulation. Proteins: Struct. Funct. Bioinf. 2003, 50:158-169.
-
(2003)
Proteins: Struct. Funct. Bioinf.
, vol.50
, pp. 158-169
-
-
Wang, T.1
Wade, R.C.2
-
14
-
-
0036234027
-
Comparison of protein solution structures refined by molecular dynamics simulation in vacuum, with a generalized Born model, and with explicit water
-
Xia B., Tsui B., Case D., Dyson H., Wright P. Comparison of protein solution structures refined by molecular dynamics simulation in vacuum, with a generalized Born model, and with explicit water. J. Biomol. 2002, 22:317-331.
-
(2002)
J. Biomol.
, vol.22
, pp. 317-331
-
-
Xia, B.1
Tsui, B.2
Case, D.3
Dyson, H.4
Wright, P.5
-
15
-
-
84961985307
-
Development of a Generalized Born model parameterization for proteins and nucleic acids
-
Dominy B., Brooks C.L. Development of a Generalized Born model parameterization for proteins and nucleic acids. J. Phys. Chem. 1999, 103:3765-3773.
-
(1999)
J. Phys. Chem.
, vol.103
, pp. 3765-3773
-
-
Dominy, B.1
Brooks, C.L.2
-
16
-
-
84555164130
-
Protein molecular dynamics with the generalized Born/ACE solvent model
-
Calimet N., Schaefer M., Simonson T. Protein molecular dynamics with the generalized Born/ACE solvent model. J. Mol. Graph. Model. 2001, 19:136-145.
-
(2001)
J. Mol. Graph. Model.
, vol.19
, pp. 136-145
-
-
Calimet, N.1
Schaefer, M.2
Simonson, T.3
-
17
-
-
0025283002
-
Electrostatic interactions in macromolecules: theory and applications
-
Sharp K.A., Honig B. Electrostatic interactions in macromolecules: theory and applications. Annu. Rev. Biophys. Biophys. Chem. 1990, 19:301-332.
-
(1990)
Annu. Rev. Biophys. Biophys. Chem.
, vol.19
, pp. 301-332
-
-
Sharp, K.A.1
Honig, B.2
-
18
-
-
38549181424
-
Development of a heterogeneous dielectric generalized Born model for the implicit modeling of membrane environments
-
Royal Society of Chemistry, Cambridge, UK, K. Naidoo (Ed.)
-
Feig M., Tanizaki S. Development of a heterogeneous dielectric generalized Born model for the implicit modeling of membrane environments. Modelling Molecular Structure and Reactivity in Biological Systems 2006, 141-150. Royal Society of Chemistry, Cambridge, UK. K. Naidoo (Ed.).
-
(2006)
Modelling Molecular Structure and Reactivity in Biological Systems
, pp. 141-150
-
-
Feig, M.1
Tanizaki, S.2
-
19
-
-
0036708447
-
Bridging implicit and explicit solvent approaches for membrane electrostatics
-
Lin J.-H., Baker N.A., McCammon J.A. Bridging implicit and explicit solvent approaches for membrane electrostatics. Biophys. J. 2002, 83:1374-1379.
-
(2002)
Biophys. J.
, vol.83
, pp. 1374-1379
-
-
Lin, J.-H.1
Baker, N.A.2
McCammon, J.A.3
-
20
-
-
0030735981
-
Influence of the membrane potential on the free energy of an intrinsic protein
-
Roux B. Influence of the membrane potential on the free energy of an intrinsic protein. Biophys. J. 1997, 73:2980-2989.
-
(1997)
Biophys. J.
, vol.73
, pp. 2980-2989
-
-
Roux, B.1
-
21
-
-
0032536194
-
Group additive contributions to the alcohol-induced alpha-helix formation of melittin: implication for the mechanism of the alcohol effects on proteins
-
Hirota N., Mizuno K., Goto Y. Group additive contributions to the alcohol-induced alpha-helix formation of melittin: implication for the mechanism of the alcohol effects on proteins. J. Mol. Biol. 1998, 275:365-378.
-
(1998)
J. Mol. Biol.
, vol.275
, pp. 365-378
-
-
Hirota, N.1
Mizuno, K.2
Goto, Y.3
-
22
-
-
0033595582
-
Clustering of fluorine-substituted alcohols as a factor responsible for their marked effects on proteins and peptides
-
Hong D., Hoshino M., Kuboi R., Goto Y. Clustering of fluorine-substituted alcohols as a factor responsible for their marked effects on proteins and peptides. J. Am. Chem. Soc. 1999, 121:8427-8433.
-
(1999)
J. Am. Chem. Soc.
, vol.121
, pp. 8427-8433
-
-
Hong, D.1
Hoshino, M.2
Kuboi, R.3
Goto, Y.4
-
23
-
-
0842333152
-
Implicit solvation based on generalized Born theory in different dielectric environments
-
Feig M., Im W., Brooks C.L. Implicit solvation based on generalized Born theory in different dielectric environments. J. Chem. Phys. 2004, 120:903-911.
-
(2004)
J. Chem. Phys.
, vol.120
, pp. 903-911
-
-
Feig, M.1
Im, W.2
Brooks, C.L.3
-
24
-
-
22944441922
-
Incorporating variable dielectric environments into the generalized Born model
-
Sigalov G., Scheffel P., Onufriev A. Incorporating variable dielectric environments into the generalized Born model. J. Chem. Phys. 2005, 122:94511-94515.
-
(2005)
J. Chem. Phys.
, vol.122
, pp. 94511-94515
-
-
Sigalov, G.1
Scheffel, P.2
Onufriev, A.3
-
25
-
-
1842479952
-
Exploring protein native states and large-scale conformational changes with a modified generalized Born model
-
Onufriev A., Bashford D., Case D.A. Exploring protein native states and large-scale conformational changes with a modified generalized Born model. Proteins: Struct. Funct. Bioinf. 2004, 55:383-394.
-
(2004)
Proteins: Struct. Funct. Bioinf.
, vol.55
, pp. 383-394
-
-
Onufriev, A.1
Bashford, D.2
Case, D.A.3
-
26
-
-
0344778061
-
Semianalytical treatment of solvation for molecular mechanics and dynamics
-
Still W.C., Tempczyk A., Hawley R.C., Hendrickson T. Semianalytical treatment of solvation for molecular mechanics and dynamics. J. Am. Chem. Soc. 1990, 12:6127-6129.
-
(1990)
J. Am. Chem. Soc.
, vol.12
, pp. 6127-6129
-
-
Still, W.C.1
Tempczyk, A.2
Hawley, R.C.3
Hendrickson, T.4
-
27
-
-
41949100049
-
Recent advances in implicit solvent based methods for biomolecular simulations
-
Chen J., Brooks C.L., Khandogin J. Recent advances in implicit solvent based methods for biomolecular simulations. Curr. Opin. Struct. Biol. 2008, 18:140-148.
-
(2008)
Curr. Opin. Struct. Biol.
, vol.18
, pp. 140-148
-
-
Chen, J.1
Brooks, C.L.2
Khandogin, J.3
-
28
-
-
0002098417
-
The development/application of a 'minimalist' organic/biochemical molecular mechanics force field using a combination of ab initio calculations and experimental data
-
Kollman P.A., Dixon R., Cornell W., Fox T., Chipot C., Pohorille A. The development/application of a 'minimalist' organic/biochemical molecular mechanics force field using a combination of ab initio calculations and experimental data. Comp. Simul. Biomol. Syst. 1997, 3:83-96.
-
(1997)
Comp. Simul. Biomol. Syst.
, vol.3
, pp. 83-96
-
-
Kollman, P.A.1
Dixon, R.2
Cornell, W.3
Fox, T.4
Chipot, C.5
Pohorille, A.6
-
29
-
-
0141704162
-
Free energy landscape of protein folding in water: explicit vs. implicit solvent
-
Zhou R. Free energy landscape of protein folding in water: explicit vs. implicit solvent. Proteins: Struct. Funct. Bioinf. 2003, 53:148-161.
-
(2003)
Proteins: Struct. Funct. Bioinf.
, vol.53
, pp. 148-161
-
-
Zhou, R.1
-
30
-
-
33847723384
-
Secondary structure bias in generalized Born solvent models: comparison of conformational ensembles and free energy of solvent polarization from explicit and implicit salvation
-
Roe D.R., Okur A., Wickstrom L., Hornak V., Simmerling C. Secondary structure bias in generalized Born solvent models: comparison of conformational ensembles and free energy of solvent polarization from explicit and implicit salvation. J. Phys. Chem. B 2007, 111:1846-1857.
-
(2007)
J. Phys. Chem. B
, vol.111
, pp. 1846-1857
-
-
Roe, D.R.1
Okur, A.2
Wickstrom, L.3
Hornak, V.4
Simmerling, C.5
-
31
-
-
46749105987
-
A test on peptide stability of AMBER force fields with implicit salvation
-
Shell M.S., Ritterson R., Dill K.A. A test on peptide stability of AMBER force fields with implicit salvation. J. Phys. Chem. B 2008, 11:26878-26886.
-
(2008)
J. Phys. Chem. B
, vol.11
, pp. 26878-26886
-
-
Shell, M.S.1
Ritterson, R.2
Dill, K.A.3
-
32
-
-
84555200133
-
-
LaFargaCPL: CLASTERIT: Project Info.
-
LaFargaCPL: CLASTERIT: Project Info, http://devel.cpl.upc.edu/clasterit.
-
-
-
-
33
-
-
9244219576
-
Comparative analysis of the conformational profile of substance P using simulated annealing and molecular dynamics
-
Corcho F., Canto J., Perez J.J. Comparative analysis of the conformational profile of substance P using simulated annealing and molecular dynamics. J. Comp. Chem. 2004, 25:1937-1952.
-
(2004)
J. Comp. Chem.
, vol.25
, pp. 1937-1952
-
-
Corcho, F.1
Canto, J.2
Perez, J.J.3
-
34
-
-
84555175402
-
-
AMBER 9, University of Californi
-
D.A. Case, T.A. Darden, T.E. Cheatham III, C.L. Simmerling, J. Wang, R.E. Duke, R. Luo, K.M. Merz, D.A. Pearlman, M. Crowley, R.C. Walker, W. Zhang, B. Wang, S. Hayik, A. Roitberg, G. Seabra, K.F. Wong, F. Paesani, X. Wu, S. Brozell, V. Tsui, H. Gohlke, L. Yang, C. Tan, J. Mongan, V. Hornak, G. Cui, P. Beroza, D.H. Mathews, C. Schafmeister, W.S. Ross, P.A. Kollman. AMBER 9, University of California, San Francisco, 2006.
-
-
-
Case, D.A.1
Darden, T.A.2
Cheatham, T.E.3
Simmerling, C.L.4
Wang, J.5
Duke, R.E.6
Luo, R.7
Merz, K.M.8
Pearlman, D.A.9
Crowley, M.10
Walker, R.C.11
Zhang, W.12
Wang, B.13
Hayik, S.14
Roitberg, A.15
Seabra, G.16
Wong, K.F.17
Paesani, F.18
Wu, X.19
Brozell, S.20
Tsui, V.21
Gohlke, H.22
Yang, L.23
Tan, C.24
Mongan, J.25
Hornak, V.26
Cui, G.27
Beroza, P.28
Mathews, D.H.29
Schafmeister, C.30
Ross, W.S.31
Kollman, P.A.32
more..
-
35
-
-
84952104504
-
An analysis of the accuracy of Langevin and molecular-dynamics algorithms
-
Pastor R.W., Brooks B.R., Szabo A. An analysis of the accuracy of Langevin and molecular-dynamics algorithms. Mol. Phys. 1988, 65:1409-1419.
-
(1988)
Mol. Phys.
, vol.65
, pp. 1409-1419
-
-
Pastor, R.W.1
Brooks, B.R.2
Szabo, A.3
-
36
-
-
84944178665
-
Hierarchical grouping to optimize an objective function
-
Jr Ward J.H. Hierarchical grouping to optimize an objective function. J. Am. Stat. Assoc. 1963, 58:236-244.
-
(1963)
J. Am. Stat. Assoc.
, vol.58
, pp. 236-244
-
-
Jr Ward, J.H.1
-
37
-
-
0017435119
-
Conformational analysis of 20 naturally occurring amino-acid residues using ECEPP
-
Zimmerman S.S., Pottle M.S., Nemethy G., Scheraga H.A. Conformational analysis of 20 naturally occurring amino-acid residues using ECEPP. Macromolecules 1977, 10:1-9.
-
(1977)
Macromolecules
, vol.10
, pp. 1-9
-
-
Zimmerman, S.S.1
Pottle, M.S.2
Nemethy, G.3
Scheraga, H.A.4
|