-
1
-
-
77954818699
-
Pharmacophore modeling and applications in drug discovery: Challenges and recent advances
-
S.Y. Yang Pharmacophore modeling and applications in drug discovery: challenges and recent advances Drug Discov. Today 15 2010 444 450
-
(2010)
Drug Discov. Today
, vol.15
, pp. 444-450
-
-
Yang, S.Y.1
-
3
-
-
3042765859
-
Conformation and bioactivity. Design and discovery of novel antihypertensive drugs
-
DOI 10.2174/1568026043451302
-
T. Mavromoustakos, M. Zervou, P. Zoumpoulakis, I. Kyrikou, N.P. Benetis, L. Polevaya, P. Roumelioti, N. Giatas, A. Zoga, P.M. Minakakis, A. Kolocouris, D. Vlahakos, S.G. Grdadolnik, and J. Matsoukas Conformation and bioactivity. Design and discovery of novel antihypertensive drugs Curr. Top. Med. Chem. 4 2004 385 401 (Pubitemid 38854830)
-
(2004)
Current Topics in Medicinal Chemistry
, vol.4
, Issue.4
, pp. 385-401
-
-
Mavromoustakos, T.1
Zervou, M.2
Zoumpoulakis, P.3
Kyrikou, I.4
Benetis, N.P.5
Polevaya, L.6
Roumelioti, P.7
Giatas, N.8
Zoga, A.9
Moutevelis Minakakis, P.10
Kolocouris, A.11
Vlahakos, D.12
Golic Grdadolnik, S.13
Matsoukas, J.14
-
4
-
-
77956855101
-
Biasing conformational ensembles towards bioactive-like conformers for ligand-based drug design
-
B. Musafia, and H. Senderowitz Biasing conformational ensembles towards bioactive-like conformers for ligand-based drug design Expert Opin. Drug Discovery 5 2010 943 959
-
(2010)
Expert Opin. Drug Discovery
, vol.5
, pp. 943-959
-
-
Musafia, B.1
Senderowitz, H.2
-
5
-
-
0030053138
-
Nonpeptide angiotensin II receptor antagonists: The next generation in antihypertensive therapy
-
DOI 10.1021/jm9504722
-
R.R. Wexler, W.J. Greenlee, J.D. Irvin, M.R. Goldberg, K. Prendergast, R.D. Smith, and P.B.M.W.M. Timmermans Nonpeptide angiotensin II receptor antagonists: the next generation in antihypertensive therapy J. Med. Chem. 39 1996 625 656 (Pubitemid 26069685)
-
(1996)
Journal of Medicinal Chemistry
, vol.39
, Issue.3
, pp. 625-656
-
-
Wexler, R.R.1
Greenlee, W.J.2
Irvin, J.D.3
Goldberg, M.R.4
Prendergast, K.5
Smith, R.D.6
Timmermans, P.B.M.W.M.7
-
6
-
-
0031788615
-
1) receptor antagonist for the treatment of heart failure
-
DOI 10.1517/13543784.7.11.1897
-
K. Dickstein, P. Timmermans, and R. Segal Losartan: a selective angiotensin II type 1 (AT1) receptor antagonist for the treatment of heart failure Expert Opin. Investig. Drugs 7 1998 1897 1914 (Pubitemid 28505095)
-
(1998)
Expert Opinion on Investigational Drugs
, vol.7
, Issue.11
, pp. 1897-1914
-
-
Dickstein, K.1
Timmermans, P.2
Segal, R.3
-
7
-
-
0033587175
-
An effort to understand the molecular basis of hypertension through the study of conformational analysis of Losartan and Sarmesin using a combination of nuclear magnetic resonance spectroscopy and theoretical calculations
-
DOI 10.1021/jm980499w
-
T. Mavromoustakos, A. Kolocouris, M. Zervou, P. Roumelioti, J. Matsoukas, and R. Weisemann An effort to understand the molecular basis of hypertension through the study of conformational analysis of Losartan and Sarmesin using a combination of nuclear magnetic resonance spectroscopy and theoretical calculations J. Med. Chem. 42 1999 1714 1722 (Pubitemid 29244965)
-
(1999)
Journal of Medicinal Chemistry
, vol.42
, Issue.10
, pp. 1714-1722
-
-
Mavromoustakos, T.1
Kolocouris, A.2
Zervou, M.3
Roumelioti, P.4
Matsoukas, J.5
Weisemann, R.6
-
8
-
-
33144457619
-
Losartan potassium 3.5-hydrate, a new crystalline form
-
X.R. Hu, Y.W. Wang, and J.M. Gu Losartan potassium 3.5-hydrate, a new crystalline form Acta Crystallogr. E 61 2005 M1686 M1688
-
(2005)
Acta Crystallogr. e
, vol.61
-
-
Hu, X.R.1
Wang, Y.W.2
Gu, J.M.3
-
9
-
-
0036648731
-
Losartan potassium, a non-peptide agent for the treatment of arterial hypertension
-
D. Fernandez, D. Vega, J.A. Ellena, and G. Echeverria Losartan potassium, a non-peptide agent for the treatment of arterial hypertension Acta Crystallogr. C 58 2002 m418 m420
-
(2002)
Acta Crystallogr. C
, vol.58
-
-
Fernandez, D.1
Vega, D.2
Ellena, J.A.3
Echeverria, G.4
-
11
-
-
0242708684
-
1 receptor
-
DOI 10.1016/S0009-3084(03)00053-7
-
P. Zoumpoulakis, I. Daliani, M. Zervou, I. Kyrikou, E. Siapi, G. Lamprinidis, E. Mikros, and T. Mavromoustakos Losartan's molecular basis of interaction with membranes and AT1 receptor Chem. Phys. Lipids 125 2003 13 25 (Pubitemid 37414802)
-
(2003)
Chemistry and Physics of Lipids
, vol.125
, Issue.1
, pp. 13-25
-
-
Zoumpoulakis, P.1
Daliani, I.2
Zervou, M.3
Kyrikou, I.4
Siapi, E.5
Lamprinidis, G.6
Mikros, E.7
Mavromoustakos, T.8
-
13
-
-
79957957725
-
Strategies in the rational drug design
-
T. Mavromoustakos, S. Durdagi, C. Koukoulitsa, M. Simcic, M.G. Papadopoulos, M. Hodoscek, and S.G. Grdadolnik Strategies in the rational drug design Curr. Med. Chem. 18 2011 2517 2530
-
(2011)
Curr. Med. Chem.
, vol.18
, pp. 2517-2530
-
-
Mavromoustakos, T.1
Durdagi, S.2
Koukoulitsa, C.3
Simcic, M.4
Papadopoulos, M.G.5
Hodoscek, M.6
Grdadolnik, S.G.7
-
14
-
-
0033370701
-
1 antagonist losartan with phospholipid membranes studied by combined use of differential scanning calorimetry and electron spin resonance spectroscopy
-
DOI 10.1016/S0005-2736(99)00155-8, PII S0005273699001558
-
E. Theodoropoulou, and D. Marsh Interactions of angiotensin II non-peptide AT(1) antagonist losartan with phospholipid membranes studied by combined use of differential scanning calorimetry and electron spin resonance spectroscopy Biochim. Biophys. Acta 1461 1999 135 146 (Pubitemid 30077469)
-
(1999)
Biochimica et Biophysica Acta - Biomembranes
, vol.1461
, Issue.1
, pp. 135-146
-
-
Theodoropoulou, E.1
Marsh, D.2
-
15
-
-
67449168119
-
Binding sites of valsartan, candesartan and losartan with angiotensin II receptor 1 subtype by molecular modeling
-
M.A. Bhuiyan, M. Ishiguro, M. Hossain, T. Nakamura, M. Ozaki, S. Miura, and T. Nagatomo Binding sites of valsartan, candesartan and losartan with angiotensin II receptor 1 subtype by molecular modeling Life Sci. 85 2009 136 140
-
(2009)
Life Sci.
, vol.85
, pp. 136-140
-
-
Bhuiyan, M.A.1
Ishiguro, M.2
Hossain, M.3
Nakamura, T.4
Ozaki, M.5
Miura, S.6
Nagatomo, T.7
-
16
-
-
33745844039
-
Proposal of a new binding orientation for non-peptide AT1 antagonists: Homology modeling, docking and three-dimensional quantitative structure - Activity relationship analysis
-
DOI 10.1021/jm060338p
-
T. Tuccinardi, V. Calderone, S. Rapposelli, and A. Martinelli Proposal of a new binding orientation for non-peptide AT1 antagonists: homology modeling, docking and three-dimensional quantitative structure-activity relationship analysis J. Med. Chem. 49 2006 4305 4316 (Pubitemid 44036674)
-
(2006)
Journal of Medicinal Chemistry
, vol.49
, Issue.14
, pp. 4305-4316
-
-
Tuccinardi, T.1
Calderone, V.2
Rapposelli, S.3
Martinelli, A.4
-
17
-
-
33644747561
-
1 receptor and the ligand-binding site
-
DOI 10.1007/s00894-005-0049-z
-
C. Baleanu-Gogonea, and S. Karnik Model of the whole rat AT1 receptor and the ligand-binding site J. Mol. Model. 12 2006 325 337 (Pubitemid 43337202)
-
(2006)
Journal of Molecular Modeling
, vol.12
, Issue.3
, pp. 325-337
-
-
Baleanu-Gogonea, C.1
Karnik, S.2
-
18
-
-
84872065473
-
Long range effect of mutations on specific conformational changes in the extracellular loop 2 of angiotensin II type 1 receptor
-
H. Unal, R. Jagannathan, A. Bhatnagar, K. Tirupula, R. Desnoyer, and S.S. Karnik Long range effect of mutations on specific conformational changes in the extracellular loop 2 of angiotensin II type 1 receptor J. Biol. Chem. 288 2013 540 551
-
(2013)
J. Biol. Chem.
, vol.288
, pp. 540-551
-
-
Unal, H.1
Jagannathan, R.2
Bhatnagar, A.3
Tirupula, K.4
Desnoyer, R.5
Karnik, S.S.6
-
19
-
-
67349250440
-
X-ray structure breakthroughs in the GPCR transmembrane region
-
S. Topiol, and M. Sabio X-ray structure breakthroughs in the GPCR transmembrane region Biochem. Pharmacol. 78 2009 11 20
-
(2009)
Biochem. Pharmacol.
, vol.78
, pp. 11-20
-
-
Topiol, S.1
Sabio, M.2
-
20
-
-
79960176452
-
Progress in structure based drug design for G protein-coupled receptors
-
M. Congreve, C.J. Langmead, J.S. Mason, and F.H. Marshall Progress in structure based drug design for G protein-coupled receptors J. Med. Chem. 54 2011 4283 4311
-
(2011)
J. Med. Chem.
, vol.54
, pp. 4283-4311
-
-
Congreve, M.1
Langmead, C.J.2
Mason, J.S.3
Marshall, F.H.4
-
21
-
-
84888633910
-
Insights into AT1 receptor activation through AngII binding studies
-
M.T. Matsoukas, C. Potamitis, P. Plotas, M.E. Androutsou, G. Agelis, J. Matsoukas, and P. Zoumpoulakis Insights into AT1 receptor activation through AngII binding studies J. Chem. Inf. Model 53 2013 2798 2811
-
(2013)
J. Chem. Inf. Model
, vol.53
, pp. 2798-2811
-
-
Matsoukas, M.T.1
Potamitis, C.2
Plotas, P.3
Androutsou, M.E.4
Agelis, G.5
Matsoukas, J.6
Zoumpoulakis, P.7
-
22
-
-
84888592896
-
Ligand binding determinants for Angiotensin II Type 1 receptor from computer simulations
-
M.T. Matsoukas, A. Cordomi, S. Rios, L. Pardo, and T. Tselios Ligand binding determinants for Angiotensin II Type 1 receptor from computer simulations J. Chem. Inf. Model 53 2013 2874 2883
-
(2013)
J. Chem. Inf. Model
, vol.53
, pp. 2874-2883
-
-
Matsoukas, M.T.1
Cordomi, A.2
Rios, S.3
Pardo, L.4
Tselios, T.5
-
23
-
-
84865192206
-
Commentary: Nonspecific protein binding versus membrane partitioning: It is not just semantics
-
S. Nagar, and K. Korzekwa Commentary: nonspecific protein binding versus membrane partitioning: it is not just semantics Drug Metab. Dispos. 40 2012 1649 1652
-
(2012)
Drug Metab. Dispos.
, vol.40
, pp. 1649-1652
-
-
Nagar, S.1
Korzekwa, K.2
-
24
-
-
69249210978
-
Ligands, their receptors and Plasma membranes
-
G. Vauquelin, and A. Packeu Ligands, their receptors and. plasma membranes Mol. Cell. Endocrinol. 311 2009 1 10
-
(2009)
Mol. Cell. Endocrinol.
, vol.311
, pp. 1-10
-
-
Vauquelin, G.1
Packeu, A.2
-
25
-
-
70350136738
-
Drug interactions with lipid membranes
-
A.M. Seddon, D. Casey, R.V. Law, A. Gee, R.H. Templer, and O. Ces Drug interactions with lipid membranes Chem. Soc. Rev. 38 2009 2509 2519
-
(2009)
Chem. Soc. Rev.
, vol.38
, pp. 2509-2519
-
-
Seddon, A.M.1
Casey, D.2
Law, R.V.3
Gee, A.4
Templer, R.H.5
Ces, O.6
-
26
-
-
0036555034
-
NMR studies of drug interaction with membranes and membrane-associated proteins
-
DOI 10.1023/A:1020182404940
-
Y. Xu, V.E. Yushmanov, and P. Tang NMR studies of drug interaction with membranes and membrane-associated proteins Biosci. Rep. 22 2002 175 196 (Pubitemid 35222731)
-
(2002)
Bioscience Reports
, vol.22
, Issue.2
, pp. 175-196
-
-
Xu, Y.1
Yushmanov, V.E.2
Tang, P.3
-
27
-
-
79958126240
-
Choosing membrane mimetics for NMR structural studies of transmembrane proteins
-
D.E. Warschawski, A.A. Arnold, M. Beaugrand, A. Gravel, E. Chartrand, and I. Marcotte Choosing membrane mimetics for NMR structural studies of transmembrane proteins Biochim. Biophys. Acta 1808 2011 1957 1974
-
(2011)
Biochim. Biophys. Acta
, vol.1808
, pp. 1957-1974
-
-
Warschawski, D.E.1
Arnold, A.A.2
Beaugrand, M.3
Gravel, A.4
Chartrand, E.5
Marcotte, I.6
-
28
-
-
0142218366
-
Regulation of transbilayer plasma membrane phospholipid asymmetry
-
DOI 10.1194/jlr.R200019-JLR200
-
D.L. Daleke Regulation of transbilayer plasma membrane phospholipid asymmetry J. Lipid Res. 44 2003 233 242 (Pubitemid 37303867)
-
(2003)
Journal of Lipid Research
, vol.44
, Issue.2
, pp. 233-242
-
-
Daleke, D.L.1
-
29
-
-
71049125746
-
Structural properties of lipid reconstructs and lipid composition of normotensive and hypertensive rat vascular smooth muscle cell membranes
-
T.R. Oliveira, M.T. Lamy, U.M. De Paula, L.L. Guimaraes, M.S. Toledo, H.K. Takahashi, A.H. Straus, C.J. Lindsey, and T.B. Paiva Structural properties of lipid reconstructs and lipid composition of normotensive and hypertensive rat vascular smooth muscle cell membranes Braz. J. Med. Biol. Res. 42 2009 844 885
-
(2009)
Braz. J. Med. Biol. Res.
, vol.42
, pp. 844-885
-
-
Oliveira, T.R.1
Lamy, M.T.2
De Paula, U.M.3
Guimaraes, L.L.4
Toledo, M.S.5
Takahashi, H.K.6
Straus, A.H.7
Lindsey, C.J.8
Paiva, T.B.9
-
30
-
-
80051784951
-
Multiple templates-based homology modeling enhances structure quality of AT1 receptor: Validation by molecular dynamics and antagonist docking
-
P. Sokkar, S. Mohandass, and M. Ramachandran Multiple templates-based homology modeling enhances structure quality of AT1 receptor: validation by molecular dynamics and antagonist docking J. Mol. Model. 17 2011 1565 1577
-
(2011)
J. Mol. Model.
, vol.17
, pp. 1565-1577
-
-
Sokkar, P.1
Mohandass, S.2
Ramachandran, M.3
-
31
-
-
79956091106
-
Comparative biophysical studies of sartan class drug molecules losartan and candesartan (CV-11974) with membrane bilayers
-
C. Fotakis, D. Christodouleas, P. Zoumpoulakis, E. Kritsi, N.P. Benetis, T. Mavromoustakos, H. Reis, A. Gili, M.G. Papadopoulos, and M. Zervou Comparative biophysical studies of sartan class drug molecules losartan and candesartan (CV-11974) with membrane bilayers J. Phys. Chem. B 115 2011 6180 6192
-
(2011)
J. Phys. Chem. B
, vol.115
, pp. 6180-6192
-
-
Fotakis, C.1
Christodouleas, D.2
Zoumpoulakis, P.3
Kritsi, E.4
Benetis, N.P.5
Mavromoustakos, T.6
Reis, H.7
Gili, A.8
Papadopoulos, M.G.9
Zervou, M.10
-
32
-
-
77749279976
-
Dominant conformation of valsartan in sodium dodecyl sulfate micelle environment
-
F. Li, L. Wang, N. Xiao, M. Yang, L. Jiang, and M. Liu Dominant conformation of valsartan in sodium dodecyl sulfate micelle environment J. Phys. Chem. B 114 2010 2719 2727
-
(2010)
J. Phys. Chem. B
, vol.114
, pp. 2719-2727
-
-
Li, F.1
Wang, L.2
Xiao, N.3
Yang, M.4
Jiang, L.5
Liu, M.6
-
33
-
-
84862985650
-
Understanding the interaction between valsartan and detergents by NMR techniques and molecular dynamics simulation
-
C. Cao, J. Mao, F. Li, M. Yang, H. He, L. Jiang, and M. Liu Understanding the interaction between valsartan and detergents by NMR techniques and molecular dynamics simulation J. Phys. Chem. B 116 2012 7470 7478
-
(2012)
J. Phys. Chem. B
, vol.116
, pp. 7470-7478
-
-
Cao, C.1
Mao, J.2
Li, F.3
Yang, M.4
He, H.5
Jiang, L.6
Liu, M.7
-
34
-
-
0347963579
-
Molecular-dynamics simulation analysis of a sodium dodecyl-sulfate micelle in aqueous-solution - Decreased fluidity of the micelle hydrocarbon interior
-
A.D. Mackerell Molecular-dynamics simulation analysis of a sodium dodecyl-sulfate micelle in aqueous-solution - Decreased fluidity of the micelle hydrocarbon interior J. Phys. Chem. 99 1995 1846 1855
-
(1995)
J. Phys. Chem.
, vol.99
, pp. 1846-1855
-
-
Mackerell, A.D.1
-
35
-
-
84893694628
-
-
(Access date: 18/11/2013)
-
http://moose.bio.ucalgary.ca/index.php?page=Structures-and-Topologies (Access date: 18/11/2013)
-
-
-
-
36
-
-
76749124055
-
Interactions at the bilayer interface and receptor site induced by the novel synthetic pyrrolidinone analog MMK3
-
C. Fotakis, S. Gega, E. Siapi, C. Potamitis, K. Viras, P. Moutevelis-Minakakis, C.G. Kokotos, S. Durdagi, S.G. Grdadolnik, B. Sartori, M. Rappolt, and T. Mavromoustakos Interactions at the bilayer interface and receptor site induced by the novel synthetic pyrrolidinone analog MMK3 BBA-Biomembr. 1798 2010 422 432
-
(2010)
BBA-Biomembr.
, vol.1798
, pp. 422-432
-
-
Fotakis, C.1
Gega, S.2
Siapi, E.3
Potamitis, C.4
Viras, K.5
Moutevelis-Minakakis, P.6
Kokotos, C.G.7
Durdagi, S.8
Grdadolnik, S.G.9
Sartori, B.10
Rappolt, M.11
Mavromoustakos, T.12
-
37
-
-
0035853015
-
Secondary structure and position of the cell-penetrating peptide transportan in SDS micelles as determined by NMR
-
DOI 10.1021/bi0008985
-
M. Lindberg, J. Jarvet, U. Langel, and A. Graslund Secondary structure and position of the cell-penetrating peptide transportan in SDS micelles as determined by NMR Biochemistry 40 2001 3141 3149 (Pubitemid 32205358)
-
(2001)
Biochemistry
, vol.40
, Issue.10
, pp. 3141-3149
-
-
Lindberg, M.1
Jarvet, J.2
Langel, U.3
Graslund, A.4
-
38
-
-
3943086309
-
Vancomycin: Interactions with a model cell membrane
-
S.G. Grdadolnik, and D.F. Mierke Vancomycin: interactions with a model cell membrane Biopolymers 42 1997 627 632
-
(1997)
Biopolymers
, vol.42
, pp. 627-632
-
-
Grdadolnik, S.G.1
Mierke, D.F.2
-
39
-
-
0001240703
-
Frequency offset effects and their elimination in NMR rotating-frame cross-relaxation spectroscopy
-
C. Griesinger, and R.R. Ernst Frequency offset effects and their elimination in NMR rotating-frame cross-relaxation spectroscopy J. Magn. Reson. 75 1987 261 271
-
(1987)
J. Magn. Reson.
, vol.75
, pp. 261-271
-
-
Griesinger, C.1
Ernst, R.R.2
-
40
-
-
84871719063
-
-
Schrödinger, LLC New York, NY
-
MacroModel, version 9.9 2012 Schrödinger, LLC New York, NY
-
(2012)
MacroModel, Version 9.9
-
-
-
41
-
-
70449705834
-
Organization and dynamics in micellar structural transition monitored by pyrene fluorescence
-
A. Chaudhuri, S. Haldar, and A. Chattopadhyay Organization and dynamics in micellar structural transition monitored by pyrene fluorescence Biochem. Biophys. Res. Commun. 390 2009 728 732
-
(2009)
Biochem. Biophys. Res. Commun.
, vol.390
, pp. 728-732
-
-
Chaudhuri, A.1
Haldar, S.2
Chattopadhyay, A.3
-
42
-
-
0037448906
-
Cooperative binding at lipid bilayer membrane surfaces
-
DOI 10.1021/ja021048a
-
E.L. Doyle, C.A. Hunter, H.C. Phillips, S.J. Webb, and N.H. Williams Cooperative binding at lipid bilayer membrane surfaces J. Am. Chem. Soc. 125 2003 4593 4599 (Pubitemid 36418706)
-
(2003)
Journal of the American Chemical Society
, vol.125
, Issue.15
, pp. 4593-4599
-
-
Doyle, E.L.1
Hunter, C.A.2
Phillips, H.C.3
Webb, S.J.4
Williams, N.H.5
-
43
-
-
84872196518
-
-
D. E. Shaw Research New York, NY (Maestro-Desmond Interoperability Tools, version 3.1, Schrödinger, New York, NY, 2012)
-
Desmond Molecular Dynamics System, version 3.1 2012 D. E. Shaw Research New York, NY (Maestro-Desmond Interoperability Tools, version 3.1, Schrödinger, New York, NY, 2012)
-
(2012)
Desmond Molecular Dynamics System, Version 3.1
-
-
-
44
-
-
33646650705
-
Reversible multiple time scale molecular-dynamics
-
M. Tuckerman, B.J. Berne, and G.J. Martyna Reversible multiple time scale molecular-dynamics J. Chem. Phys. 97 1992 1990 2001
-
(1992)
J. Chem. Phys.
, vol.97
, pp. 1990-2001
-
-
Tuckerman, M.1
Berne, B.J.2
Martyna, G.J.3
-
45
-
-
33750587438
-
Molecular-dynamics with coupling to an external bath
-
H.J.C. Berendsen, J.P.M. Postma, W.F. Vangunsteren, A. Dinola, and J.R. Haak Molecular-dynamics with coupling to an external bath J. Chem. Phys. 81 1984 3684 3690
-
(1984)
J. Chem. Phys.
, vol.81
, pp. 3684-3690
-
-
Berendsen, H.J.C.1
Postma, J.P.M.2
Vangunsteren, W.F.3
Dinola, A.4
Haak, J.R.5
-
46
-
-
33645961739
-
A smooth particle mesh Ewald method
-
U. Essmann, L. Perera, M.L. Berkowitz, T. Darden, H. Lee, and L.G. Pedersen A smooth particle mesh Ewald method J. Chem. Phys. 103 1995 8577 8593
-
(1995)
J. Chem. Phys.
, vol.103
, pp. 8577-8593
-
-
Essmann, U.1
Perera, L.2
Berkowitz, M.L.3
Darden, T.4
Lee, H.5
Pedersen, L.G.6
-
47
-
-
84875371515
-
-
Schrödinger, LLC New York, NY
-
Maestro, version 9.3 2012 Schrödinger, LLC New York, NY
-
(2012)
Maestro, Version 9.3
-
-
-
50
-
-
4444282928
-
A biomolecular force field based on the free enthalpy of hydration and solvation: The GROMOS force-field parameter sets 53A5 and 53A6
-
C. Oostenbrink, A. Villa, A.E. Mark, and W.F. van Gunsteren A biomolecular force field based on the free enthalpy of hydration and solvation: the GROMOS force-field parameter sets 53A5 and 53A6 J. Comput. Chem. 25 2004 1656 1676
-
(2004)
J. Comput. Chem.
, vol.25
, pp. 1656-1676
-
-
Oostenbrink, C.1
Villa, A.2
Mark, A.E.3
Van Gunsteren, W.F.4
-
51
-
-
0030033065
-
X-ray structure determination of fully hydrated L(alpha) phase dipalmitoylphosphatidylcholine bilayers
-
J.F. Nagle, R.T. Zhang, S. TristramNagle, W.J. Sun, H.I. Petrache, and R.M. Suter X-ray structure determination of fully hydrated L(alpha) phase dipalmitoylphosphatidylcholine bilayers Biophys. J. 70 1996 1419 1431
-
(1996)
Biophys. J.
, vol.70
, pp. 1419-1431
-
-
Nagle, J.F.1
Zhang, R.T.2
Tristramnagle, S.3
Sun, W.J.4
Petrache, H.I.5
Suter, R.M.6
-
52
-
-
77954256616
-
G-membed: Efficient insertion of a membrane protein into an equilibrated lipid bilayer with minimal perturbation
-
M.G. Wolf, M. Hoefling, C. Aponte-Santamaria, H. Grubmuller, and G. Groenhof g-membed: efficient insertion of a membrane protein into an equilibrated lipid bilayer with minimal perturbation J. Comput. Chem. 31 2010 2169 2174
-
(2010)
J. Comput. Chem.
, vol.31
, pp. 2169-2174
-
-
Wolf, M.G.1
Hoefling, M.2
Aponte-Santamaria, C.3
Grubmuller, H.4
Groenhof, G.5
-
53
-
-
84893643603
-
-
(Access date: 18/11/2013)
-
http://davapc1.bioch.dundee.ac.uk/cgi-bin/prodrg/ (Access date: 18/11/2013)
-
-
-
-
54
-
-
78650680564
-
Practical considerations for building GROMOS-compatible small-molecule topologies
-
J.A. Lemkul, W.J. Allen, and D.R. Bevan Practical considerations for building GROMOS-compatible small-molecule topologies J. Chem. Inf. Model. 50 2010 2221 2235
-
(2010)
J. Chem. Inf. Model.
, vol.50
, pp. 2221-2235
-
-
Lemkul, J.A.1
Allen, W.J.2
Bevan, D.R.3
-
55
-
-
77955309392
-
NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations
-
M. Valiev, E.J. Bylaska, N. Govind, K. Kowalski, T.P. Straatsma, H.J.J. van Dam, D. Wang, J. Nieplocha, E. Apra, T.L. Windus, and W.A. de Jong NWChem: a comprehensive and scalable open-source solution for large scale molecular simulations Comput. Phys. Commun. 181 2010
-
(2010)
Comput. Phys. Commun.
, vol.181
-
-
Valiev, M.1
Bylaska, E.J.2
Govind, N.3
Kowalski, K.4
Straatsma, T.P.5
Van Dam, H.J.J.6
Wang, D.7
Nieplocha, J.8
Apra, E.9
Windus, T.L.10
De Jong, W.A.11
-
56
-
-
84893704462
-
-
(Access date: 18/11/2013)
-
http://www.nwchem-sw.org/ (Access date: 18/11/2013)
-
-
-
-
57
-
-
34447132261
-
Contortions of encapsulated alkyl groups
-
DOI 10.1039/b617548a
-
J. Rebek Jr. Contortions of encapsulated alkyl groups Chem. Commun. 2007 2777 2789 (Pubitemid 47035544)
-
(2007)
Chemical Communications
, Issue.27
, pp. 2777-2789
-
-
Rebek Jr., J.1
-
58
-
-
78549287112
-
1H NMR spectroscopic investigations on the conformation of amphiphilic aromatic amino acid derivatives in solution: Effect of chemical architecture of amphiphiles and polarity of solvent medium
-
1H NMR spectroscopic investigations on the conformation of amphiphilic aromatic amino acid derivatives in solution: effect of chemical architecture of amphiphiles and polarity of solvent medium J. Phys. Chem. B 114 2010 13691 13702
-
(2010)
J. Phys. Chem. B
, vol.114
, pp. 13691-13702
-
-
Vijay, R.1
Mandal, A.B.2
Baskar, G.3
-
59
-
-
0030067073
-
Surface location and orientation of the lantibiotic nisin bound to membrane-mimicking micelles of dodecylphosphocholine and of sodium dodecylsulphate
-
H.W. Van Den Hooven, C.A. Spronk, M. Van De Kamp, R.N. Konings, C.W. Hilbers, and F.J. Van De Van Surface location and orientation of the lantibiotic nisin bound to membrane-mimicking micelles of dodecylphosphocholine and of sodium dodecylsulphate Eur. J. Biochem. 235 1996 394 403 (Pubitemid 26045455)
-
(1996)
European Journal of Biochemistry
, vol.235
, Issue.1-2
, pp. 394-403
-
-
Van Den Hooven, H.W.1
Spronk, C.A.E.M.2
Van De Kamp, M.3
Konings, R.N.H.4
Hilbers, C.W.5
Van De Ven, F.J.M.6
-
60
-
-
84858640677
-
Losartan's affinity to fluid bilayers modulates lipid-cholesterol interactions
-
A. Hodzic, P. Zoumpoulakis, G. Pabst, T. Mavromoustakos, and M. Rappolt Losartan's affinity to fluid bilayers modulates lipid-cholesterol interactions Phys. Chem. Chem. Phys. 14 2012 4780 4788
-
(2012)
Phys. Chem. Chem. Phys.
, vol.14
, pp. 4780-4788
-
-
Hodzic, A.1
Zoumpoulakis, P.2
Pabst, G.3
Mavromoustakos, T.4
Rappolt, M.5
-
61
-
-
77956309074
-
Long-lasting target binding and rebinding as mechanisms to prolong in vivo drug action
-
G. Vauquelin, and S.J. Charlton Long-lasting target binding and rebinding as mechanisms to prolong in vivo drug action Br. J. Pharmacol. 161 2010 488 508
-
(2010)
Br. J. Pharmacol.
, vol.161
, pp. 488-508
-
-
Vauquelin, G.1
Charlton, S.J.2
-
62
-
-
84865589426
-
Comparative study of the AT(1) receptor prodrug antagonist candesartan cilexetil with other sartans on the interactions with membrane bilayers
-
C. Fotakis, G. Megariotis, D. Christodouleas, E. Kritsi, P. Zoumpoulakis, D. Ntountaniotis, M. Zervou, C. Potamitis, A. Hodzic, G. Pabst, M. Rappolt, G. Mali, J. Baldus, C. Glaubitz, M.G. Papadopoulos, A. Afantitis, G. Melagraki, and T. Mavromoustakos Comparative study of the AT(1) receptor prodrug antagonist candesartan cilexetil with other sartans on the interactions with membrane bilayers Biochim. Biophys. Acta 1818 2012 3107 3120
-
(2012)
Biochim. Biophys. Acta
, vol.1818
, pp. 3107-3120
-
-
Fotakis, C.1
Megariotis, G.2
Christodouleas, D.3
Kritsi, E.4
Zoumpoulakis, P.5
Ntountaniotis, D.6
Zervou, M.7
Potamitis, C.8
Hodzic, A.9
Pabst, G.10
Rappolt, M.11
Mali, G.12
Baldus, J.13
Glaubitz, C.14
Papadopoulos, M.G.15
Afantitis, A.16
Melagraki, G.17
Mavromoustakos, T.18
-
63
-
-
65349139121
-
Antihypertensive drug valsartan in solution and at the AT(1) receptor: Conformational analysis, dynamic NMR spectroscopy
-
J Chem Inf Model
-
C. Potamitis, M. Zervou, V. Katsiaras, P. Zoumpoulakis, S. Durdagi, M.G. Papadopoulos, J.M. Hayes, S.G. Grdadolnik, I. Kyrikou, D. Argyropoulos, G. Vatougia, and T. Mavromoustakos Antihypertensive drug valsartan in solution and at the AT(1) receptor: conformational analysis, dynamic NMR spectroscopy Silico docking, and molecular dynamics simulations J Chem Inf Model 49 2009 726 739
-
(2009)
Silico Docking, and Molecular Dynamics Simulations
, vol.49
, pp. 726-739
-
-
Potamitis, C.1
Zervou, M.2
Katsiaras, V.3
Zoumpoulakis, P.4
Durdagi, S.5
Papadopoulos, M.G.6
Hayes, J.M.7
Grdadolnik, S.G.8
Kyrikou, I.9
Argyropoulos, D.10
Vatougia, G.11
Mavromoustakos, T.12
-
64
-
-
84866788499
-
Angiotensin II AT(1) receptor blockers as treatments for inflammatory brain disorders
-
J.M. Saavedra Angiotensin II AT(1) receptor blockers as treatments for inflammatory brain disorders Clin. Sci. 123 2012 567 590
-
(2012)
Clin. Sci.
, vol.123
, pp. 567-590
-
-
Saavedra, J.M.1
|