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Volumn 39, Issue 11, 2010, Pages 1523-1536

Structural modeling of high-affinity thyroid receptor-ligand complexes

Author keywords

Binding free energy; High affinity thyromimetics; Molecular dynamics; Nuclear receptor; Thyroid hormone receptor; Thyromimetics receptor binding modes

Indexed keywords

LIGAND; THYROID HORMONE RECEPTOR; THYROID HORMONE RECEPTOR ALPHA;

EID: 77957702554     PISSN: 01757571     EISSN: None     Source Type: Journal    
DOI: 10.1007/s00249-010-0610-2     Document Type: Article
Times cited : (14)

References (54)
  • 2
    • 1942453725 scopus 로고    scopus 로고
    • Selective activation of thyroid hormone signaling pathways by GC-1: A new approach to controlling cholesterol and body weight
    • DOI 10.1016/j.tem.2004.03.008, PII S1043276004000633
    • JD Baxter P Webb G Grover TS Scanlan 2004 Selective activation of thyroid hormone signaling pathways by GC-1: a new approach to controlling cholesterol and body weight Trends Endocr Met 15 154 157 1:CAS:528:DC%2BD2cXjsVegurw%3D 10.1016/j.tem.2004.03.008 (Pubitemid 38510494)
    • (2004) Trends in Endocrinology and Metabolism , vol.15 , Issue.4 , pp. 154-157
    • Baxter, J.D.1    Webb, P.2    Grover, G.3    Scanlan, T.S.4
  • 4
    • 0344931796 scopus 로고    scopus 로고
    • Retinoic acid receptor: A simulation analysis of retinoic acid binding and the resulting conformational changes
    • DOI 10.1006/jmbi.1999.2879
    • A Blondel JP Renaud S Fischer D Moras M Karplus 1999 Retinoic acid receptor: a simulation analysis of retinoic acid binding and the resulting conformational changes J Mol Biol 291 101 115 1:CAS:528:DyaK1MXkvFKjtLk%3D 10.1006/jmbi.1999.2879 10438609 (Pubitemid 29391408)
    • (1999) Journal of Molecular Biology , vol.291 , Issue.1 , pp. 101-115
    • Blondel, A.1    Renaud, J.-P.2    Fischer, S.3    Moras, D.4    Karplus, M.5
  • 6
    • 33745472162 scopus 로고    scopus 로고
    • Free energy simulations of uncatalyzed DNA replication fidelity: Structure and stability of T·G and dTTP·G terminal DNA mismatches flanked by a single dangling nucleotide
    • DOI 10.1021/jp060292b
    • U Bren V Martinek J Florian 2006 Free energy simulations of uncatalyzed DNA replication fidelity: structure and stability of T center dot G and dTTP center dot G terminal DNA mismatches flanked by a single dangling nucleotide J Phys Chem B 110 10557 10566 1:CAS:528:DC%2BD28XktVyqs78%3D 10.1021/jp060292b 16722767 (Pubitemid 43952953)
    • (2006) Journal of Physical Chemistry B , vol.110 , Issue.21 , pp. 10557-10566
    • Bren, U.1    Martinek, V.2    Florian, J.3
  • 7
    • 23744511541 scopus 로고    scopus 로고
    • Glucocorticoid receptor point mutation V571M facilitates coactivator and ligand binding by structural rearrangement and stabilization
    • DOI 10.1210/me.2004-0203
    • P Carlsson KF Koehler L Nilsson 2005 Glucocorticoid receptor point mutation V571M facilitates coactivator and ligand binding by structural rearrangement and stabilization Mol Endocr 19 1960 1977 1:CAS:528: DC%2BD2MXmvV2jurs%3D 10.1210/me.2004-0203 (Pubitemid 41124195)
    • (2005) Molecular Endocrinology , vol.19 , Issue.8 , pp. 1960-1977
    • Carlsson, P.1    Koehler, K.F.2    Nilsson, L.3
  • 8
    • 33751218931 scopus 로고    scopus 로고
    • Unbinding of Retinoic Acid from the Retinoic Acid Receptor by Random Expulsion Molecular Dynamics
    • DOI 10.1529/biophysj.106.082917
    • P Carlsson S Burendahl L Nilsson 2006 Unbinding of retinoic acid from the retinoic acid receptor by random expulsion molecular dynamics Biophys J 91 3151 3161 1:CAS:528:DC%2BD28XhtFensLvN 10.1529/biophysj.106.082917 16891362 (Pubitemid 44788250)
    • (2006) Biophysical Journal , vol.91 , Issue.9 , pp. 3151-3161
    • Carlsson, P.1    Burendahl, S.2    Nilsson, L.3
  • 9
    • 77957691432 scopus 로고    scopus 로고
    • CCDC. Cambridge Crystallographic Data Centre Cambridge, UK
    • CCDC (2007) Gold 3.0.1. Cambridge Crystallographic Data Centre, Cambridge, UK
    • (2007) Gold 3.0.1
  • 10
    • 33847114057 scopus 로고    scopus 로고
    • Conformational dynamics of the estrogen receptor α: Molecular dynamics simulations of the influence of binding site structure on protein dynamics
    • DOI 10.1021/bi061656t
    • L Celik JDD Lund B Schiott 2007 Conformational dynamics of the estrogen receptor alpha: molecular dynamics simulations of the influence of binding site structure on protein dynamics Biochem 46 1743 1758 1:CAS:528: DC%2BD2sXot1WmsA%3D%3D 10.1021/bi061656t (Pubitemid 46290551)
    • (2007) Biochemistry , vol.46 , Issue.7 , pp. 1743-1758
    • Celik, L.1    Lund, J.D.D.2    Schiott, B.3
  • 11
    • 57449086143 scopus 로고    scopus 로고
    • Exploring interactions of endocrine-disrupting compounds with different conformations of the human estrogen receptor alpha ligand binding domain: A molecular docking study
    • 1:CAS:528:DC%2BD1cXht1CltbbF 10.1021/tx800278d 18921983
    • L Celik JDD Lund B Schiott 2008 Exploring interactions of endocrine-disrupting compounds with different conformations of the human estrogen receptor alpha ligand binding domain: a molecular docking study Chem Res Toxicol 21 2195 2206 1:CAS:528:DC%2BD1cXht1CltbbF 10.1021/tx800278d 18921983
    • (2008) Chem Res Toxicol , vol.21 , pp. 2195-2206
    • Celik, L.1    Lund, J.D.D.2    Schiott, B.3
  • 12
    • 0032101890 scopus 로고    scopus 로고
    • A high-affinity subtype-selective agonist ligand for the thyroid hormone receptor
    • 10.1016/S1074-5521(98)90168-5
    • G Chiellini JW Apriletti HA Yoshihara JD Baxter RCJ Ribeiro TS Scanlan 1998 A high-affinity subtype-selective agonist ligand for the thyroid hormone receptor Chem. Biol. 1998 5 299 306 10.1016/S1074-5521(98)90168-5
    • (1998) Chem. Biol. , vol.1998 , Issue.5 , pp. 299-306
    • Chiellini, G.1    Apriletti, J.W.2    Yoshihara, H.A.3    Baxter, J.D.4    Ribeiro, R.C.J.5    Scanlan, T.S.6
  • 13
    • 84988115618 scopus 로고
    • Validation of the general-purpose tripos 5.2 force-field
    • 1:CAS:528:DyaK3cXhtlygsbk%3D 10.1002/jcc.540100804
    • M Clark RD Cramer N Vanopdenbosch 1989 Validation of the general-purpose tripos 5.2 force-field J Comp Chem 10 982 1012 1:CAS:528:DyaK3cXhtlygsbk%3D 10.1002/jcc.540100804
    • (1989) J Comp Chem , vol.10 , pp. 982-1012
    • Clark, M.1    Cramer, R.D.2    Vanopdenbosch, N.3
  • 14
    • 33846823909 scopus 로고
    • Particle mesh Ewald-an N.Log(N) method for Ewald Sums in large systems
    • 1:CAS:528:DyaK3sXks1Ohsr0%3D 10.1063/1.464397
    • T Darden D York L Pedersen 1993 Particle mesh Ewald-an N.Log(N) method for Ewald Sums in large systems J Chem Phys 98 10089 10092 1:CAS:528: DyaK3sXks1Ohsr0%3D 10.1063/1.464397
    • (1993) J Chem Phys , vol.98 , pp. 10089-10092
    • Darden, T.1    York, D.2    Pedersen, L.3
  • 15
    • 0029947835 scopus 로고    scopus 로고
    • Thyroid hormone receptor β is essential for development of auditory function
    • DOI 10.1038/ng0796-354
    • D Forrest LC Erway L Ng R Altschuler T Curran 1996 Thyroid hormone receptor beta is essential for development of auditory function Nat Genet 13 354 357 1:CAS:528:DyaK28XktVegtL8%3D 10.1038/ng0796-354 8673137 (Pubitemid 26230504)
    • (1996) Nature Genetics , vol.13 , Issue.3 , pp. 354-357
    • Forrest, D.1    Erway, L.C.2    Ng, L.3    Altschuler, R.4    Curran, T.5
  • 18
    • 33748359338 scopus 로고    scopus 로고
    • Binding diversity of the two binding sites of ricin B lectin
    • DOI 10.1002/bip.20530
    • D Ganguly C Mukhopadhyay 2006 Binding diversity of the two binding sites of ricin B lectin Biopolymers 83 83 94 1:CAS:528:DC%2BD28XosFCqs7o%3D 10.1002/bip.20530 16642485 (Pubitemid 44338513)
    • (2006) Biopolymers , vol.83 , Issue.1 , pp. 83-94
    • Ganguly, D.1    Mukhopadhyay, C.2
  • 19
    • 0033081046 scopus 로고    scopus 로고
    • Different functions for the thyroid hormone receptors TRα and TRβ in the control of thyroid hormone production and post-natal development
    • DOI 10.1093/emboj/18.3.623
    • K Gauthier O Chassande M Plateroti JP Roux C Legrand B Pain, et al. 1999 Different functions for the thyroid hormone receptors TR alpha and TR beta in the control of thyroid hormone production and post-natal development EMBO J 18 623 631 1:CAS:528:DyaK1MXhslais70%3D 10.1093/emboj/18.3.623 9927422 (Pubitemid 29057247)
    • (1999) EMBO Journal , vol.18 , Issue.3 , pp. 623-631
    • Gauthier, K.1    Chassande, O.2    Plateroti, M.3    Roux, J.-P.4    Legrand, C.5    Pain, B.6    Rousset, B.7    Weiss, R.8    Trouillas, J.9    Samarut, J.10
  • 20
    • 41049092350 scopus 로고    scopus 로고
    • Ligand-escape pathways from the ligand-binding domain of PPARγ receptor as probed by molecular dynamics simulations
    • DOI 10.1007/s00249-007-0220-9
    • D Genest N Garnier A Arrault C Marot L Morin-Allory M Genest 2008 Ligand-escape pathways from the ligand-binding domain of PPAR gamma receptor as probed by molecular dynamics simulations Eur Biophys J 37 369 379 1:CAS:528:DC%2BD1cXjsF2nsr8%3D 10.1007/s00249-007-0220-9 17929009 (Pubitemid 351423112)
    • (2008) European Biophysics Journal , vol.37 , Issue.4 , pp. 369-379
    • Genest, D.1    Garnier, N.2    Arrault, A.3    Marot, C.4    Morin-Allory, L.5    Genest, M.6
  • 21
    • 0031637651 scopus 로고    scopus 로고
    • Ligand binding affinity prediction by linear interaction energy methods
    • 1:CAS:528:DyaK1cXisl2qsbc%3D 10.1023/A:1007930623000
    • T Hansson J Marelius J Aqvist 1998 Ligand binding affinity prediction by linear interaction energy methods J Comp Aid Mol Des 12 27 35 1:CAS:528:DyaK1cXisl2qsbc%3D 10.1023/A:1007930623000
    • (1998) J Comp Aid Mol des , vol.12 , pp. 27-35
    • Hansson, T.1    Marelius, J.2    Aqvist, J.3
  • 23
    • 0004016501 scopus 로고
    • Comparison of simple potential functions for simulating liquid water
    • 1:CAS:528:DyaL3sXksF2htL4%3D 10.1063/1.445869
    • WL Jorgensen J Chandrasekhar JD Madura RW Impey ML Klein 1983 Comparison of simple potential functions for simulating liquid water J Chem Phys 79 926 935 1:CAS:528:DyaL3sXksF2htL4%3D 10.1063/1.445869
    • (1983) J Chem Phys , vol.79 , pp. 926-935
    • Jorgensen, W.L.1    Chandrasekhar, J.2    Madura, J.D.3    Impey, R.W.4    Klein, M.L.5
  • 24
    • 0032906662 scopus 로고    scopus 로고
    • Unbinding of retinoic acid from its receptor studied by steered molecular dynamics
    • 1:CAS:528:DyaK1MXjsFOisQ%3D%3D 10.1016/S0006-3495(99)77188-2 9876133
    • D Kosztin S Izrailev K Schulten 1999 Unbinding of retinoic acid from its receptor studied by steered molecular dynamics Biophys J 76 188 197 1:CAS:528:DyaK1MXjsFOisQ%3D%3D 10.1016/S0006-3495(99)77188-2 9876133
    • (1999) Biophys J , vol.76 , pp. 188-197
    • Kosztin, D.1    Izrailev, S.2    Schulten, K.3
  • 25
    • 0033054115 scopus 로고    scopus 로고
    • The structure of the nuclear hormone receptors
    • DOI 10.1016/S0039-128X(99)00014-8, PII S0039128X99000148
    • R Kumar EB Thompson 1999 The structure of the nuclear hormone receptors Steroids 64 310 319 1:CAS:528:DyaK1MXktFKgsL0%3D 10.1016/S0039-128X(99)00014-8 10406480 (Pubitemid 29284331)
    • (1999) Steroids , vol.64 , Issue.5 , pp. 310-319
    • Kumar, R.1    Thompson, E.B.2
  • 26
    • 0027416347 scopus 로고
    • Thyroid-hormone receptors-multiple forms, multiple possibilities
    • 1:CAS:528:DyaK3sXks1eitb0%3D 8325251
    • MA Lazar 1993 Thyroid-hormone receptors-multiple forms, multiple possibilities Endocr Rev 14 184 193 1:CAS:528:DyaK3sXks1eitb0%3D 8325251
    • (1993) Endocr Rev , vol.14 , pp. 184-193
    • Lazar, M.A.1
  • 27
    • 0041784950 scopus 로고    scopus 로고
    • All-atom empirical potential for molecular modeling and dynamics studies of proteins
    • 1:CAS:528:DyaK1cXivVOlsb4%3D 10.1021/jp973084f
    • AD MacKerell D Bashford M Bellott RL Dunbrack JD Evanseck MJ Field, et al. 1998 All-atom empirical potential for molecular modeling and dynamics studies of proteins J Phys Chem B 102 3586 3616 1:CAS:528:DyaK1cXivVOlsb4%3D 10.1021/jp973084f
    • (1998) J Phys Chem B , vol.102 , pp. 3586-3616
    • MacKerell, A.D.1    Bashford, D.2    Bellott, M.3    Dunbrack, R.L.4    Evanseck, J.D.5    Field, M.J.6
  • 28
    • 24144439756 scopus 로고    scopus 로고
    • Molecular dynamics simulations reveal multiple pathways of ligand dissociation from thyroid hormone receptors
    • DOI 10.1529/biophysj.105.063818
    • L Martínez MT Sonoda P Webb JD Baxter MS Skaf I Polikarpov 2005 Molecular dynamics simulations reveal multiple pathways of ligand dissociation from thyroid hormone receptors Biophys J 89 2011 2023 10.1529/biophysj.105. 063818 15980170 (Pubitemid 41233556)
    • (2005) Biophysical Journal , vol.89 , Issue.3 , pp. 2011-2023
    • Martinez, L.1    Sonoda, M.T.2    Webb, P.3    Baxter, J.D.4    Skaf, M.S.5    Polikarpov, I.6
  • 29
    • 30444446327 scopus 로고    scopus 로고
    • Molecular dynamics simulations of ligand dissociation from thyroid hormone receptors: Evidence of the likeliest escape pathway and its implications for the design of novel ligands
    • DOI 10.1021/jm050805n
    • L Martínez P Webb I Polikarpov MS Skaf 2006 Molecular dynamics simulations of ligand dissociation from thyroid hormone receptors: evidence of the likeliest escape pathway and its implications for the design of novel ligands J Med Chem 49 23 26 10.1021/jm050805n 16392786 (Pubitemid 43077316)
    • (2006) Journal of Medicinal Chemistry , vol.49 , Issue.1 , pp. 23-26
    • Martinez, L.1    Webb, P.2    Polikarpov, I.3    Skaf, M.S.4
  • 30
    • 51849109110 scopus 로고    scopus 로고
    • Only subtle protein conformational adaptations are required for ligand binding to thyroid hormone receptors: Simulations using a novel multipoint steered molecular dynamics approach
    • 10.1021/jp803403c 18681473
    • L Martínez I Polikarpov MS Skaf 2008 Only subtle protein conformational adaptations are required for ligand binding to thyroid hormone receptors: simulations using a novel multipoint steered molecular dynamics approach J Phys Chem B 112 10741 10751 10.1021/jp803403c 18681473
    • (2008) J Phys Chem B , vol.112 , pp. 10741-10751
    • Martínez, L.1    Polikarpov, I.2    Skaf, M.S.3
  • 32
    • 0037231557 scopus 로고    scopus 로고
    • Simulation of the different biological activities of diethylstilbestrol (DES) on estrogen receptor α and estrogen-related receptor γ
    • DOI 10.1002/bip.10307
    • K Nam P Marshall RM Wolf W Cornell 2003 Simulation of the different biological activities of diethylstilbestrol (DES) on estrogen receptor alpha and estrogen-related receptor gamma Biopolymers 68 130 138 1:CAS:528: DC%2BD3sXitlyqsQ%3D%3D 10.1002/bip.10307 12579585 (Pubitemid 36098313)
    • (2003) Biopolymers , vol.68 , Issue.1 , pp. 130-138
    • Nam, K.1    Marshall, P.2    Wolf, R.M.3    Cornell, W.4
  • 34
    • 0035168148 scopus 로고    scopus 로고
    • A thyroid hormone receptor that is required for the development of green cone photoreceptors
    • 1:CAS:528:DC%2BD3MXis1yrsA%3D%3D 11138006
    • L Ng LB Hurley B Dierks M Srinivas C Salto B Vennstrom, et al. 2001 A thyroid hormone receptor that is required for the development of green cone photoreceptors Nat Genet 27 94 98 1:CAS:528:DC%2BD3MXis1yrsA%3D%3D 11138006
    • (2001) Nat Genet , vol.27 , pp. 94-98
    • Ng, L.1    Hurley, L.B.2    Dierks, B.3    Srinivas, M.4    Salto, C.5    Vennstrom, B.6
  • 35
    • 0037130243 scopus 로고    scopus 로고
    • Rational design and synthesis of a novel thyroid hormone antagonist that blocks coactivator recruitment
    • DOI 10.1021/jm0201013
    • NH Nguyen JW Apriletti STC Lima P Webb JD Baxter TS Scanlan 2002 Rational design and synthesis of a novel thyroid hormone antagonist that blocks coactivator recruitment J Med Chem 45 3310 3320 1:CAS:528:DC%2BD38XksFOqs7k%3D 10.1021/jm0201013 12109914 (Pubitemid 34774281)
    • (2002) Journal of Medicinal Chemistry , vol.45 , Issue.15 , pp. 3310-3320
    • Nguyen, N.-H.1    Apriletti, J.W.2    Cunha Lima, S.T.3    Webb, P.4    Baxter, J.D.5    Scanlan, T.S.6
  • 37
    • 0034736032 scopus 로고    scopus 로고
    • Simulations of the estrogen receptor ligand-binding domain: Affinity of natural ligands and xenoestrogens
    • 1:CAS:528:DC%2BD3cXnvFarsbc%3D 10.1021/jm001045d 11101351
    • C Oostenbrink JW Pitera MMH van Lipzig JHN Meerman WF van Gunsteren 2000 Simulations of the estrogen receptor ligand-binding domain: affinity of natural ligands and xenoestrogens J Med Chem 43 4594 4605 1:CAS:528:DC%2BD3cXnvFarsbc%3D 10.1021/jm001045d 11101351
    • (2000) J Med Chem , vol.43 , pp. 4594-4605
    • Oostenbrink, C.1    Pitera, J.W.2    Van Lipzig, M.M.H.3    Meerman, J.H.N.4    Van Gunsteren, W.F.5
  • 38
    • 58849132845 scopus 로고    scopus 로고
    • Ligand unbinding pathways from the vitamin D receptor studied by molecular dynamics simulations
    • 10.1007/s00249-008-0369-x 18836710
    • M Peräkylä 2009 Ligand unbinding pathways from the vitamin D receptor studied by molecular dynamics simulations Eur Biophys J 38 185 198 10.1007/s00249-008-0369-x 18836710
    • (2009) Eur Biophys J , vol.38 , pp. 185-198
    • Peräkylä, M.1
  • 40
    • 31744450875 scopus 로고    scopus 로고
    • New mean-energy formulae for free energy differences
    • DOI 10.1080/00268970500298980
    • FO Raineri G Stell D Ben-Amotz 2005 New mean-energy formulae for free energy differences Mol Phys 103 3209 3221 1:CAS:528:DC%2BD2MXhtFWhsL%2FJ 10.1080/00268970500298980 (Pubitemid 43175285)
    • (2005) Molecular Physics , vol.103 , Issue.21-23 SPEC. ISSUE , pp. 3209-3221
    • Raineri, F.O.1    Stell, G.2    Ben-Amotz, D.3
  • 41
    • 0028927035 scopus 로고
    • The nuclear hormone-receptor gene superfamily
    • 1:CAS:528:DyaK2MXkvFSksb0%3D 10.1146/annurev.med.46.1.443 7598477
    • RCJ Ribeiro PJ Kushner JD Baxter 1995 The nuclear hormone-receptor gene superfamily Annu Rev Med 46 443 453 1:CAS:528:DyaK2MXkvFSksb0%3D 10.1146/annurev.med.46.1.443 7598477
    • (1995) Annu Rev Med , vol.46 , pp. 443-453
    • Ribeiro, R.C.J.1    Kushner, P.J.2    Baxter, J.D.3
  • 43
    • 46349088224 scopus 로고    scopus 로고
    • Ligand dissociation from estrogen receptor is mediated by receptor dimerization: Evidence from molecular dynamics simulations
    • DOI 10.1210/me.2007-0501
    • MT Sonoda L Martínez P Webb MS Skaf I Polikarpov 2008 Ligand dissociation from estrogen receptor is mediated by receptor dimerization: evidence from molecular dynamics simulations Mol Endocr 22 1565 1578 1:CAS:528:DC%2BD1cXot1ehur8%3D 10.1210/me.2007-0501 (Pubitemid 351920391)
    • (2008) Molecular Endocrinology , vol.22 , Issue.7 , pp. 1565-1578
    • Sonoda, M.T.1    Martinez, L.2    Webb, P.3    Skaf, M.S.4    Polikarpov, I.5
  • 44
    • 77957719050 scopus 로고    scopus 로고
    • Souza PCT, Martínez L, Polikarpov I, Skaf MS (2009) In preparation
    • Souza PCT, Martínez L, Polikarpov I, Skaf MS (2009) In preparation
  • 45
    • 33750288698 scopus 로고    scopus 로고
    • Are automated molecular dynamics simulations and binding free energy calculations realistic tools in lead optimization? An evaluation of the Linear Interaction Energy (LIE) method
    • DOI 10.1021/ci0601214
    • E Stjernschantz J Marelius C Medina M Jacobsson NPE Vermeulen C Oostenbrink 2006 Are automated molecular dynamics simulations and binding free energy calculations realistic tools in lead optimization? An evaluation of the linear interaction energy (LIE) method J Chem Info Mod 46 1972 1983 1:CAS:528:DC%2BD28XnsV2hs7w%3D 10.1021/ci0601214 (Pubitemid 44625969)
    • (2006) Journal of Chemical Information and Modeling , vol.46 , Issue.5 , pp. 1972-1983
    • Stjernschantz, E.1    Marelius, J.2    Medina, C.3    Jacobsson, M.4    Vermeulen, N.P.E.5    Oostenbrink, C.6
  • 46
    • 77957693131 scopus 로고    scopus 로고
    • Version 7.1. Tripos Inc.
    • Sybyl (2005) Version 7.1. Tripos Inc.
    • (2005) Sybyl
  • 47
    • 18044365802 scopus 로고    scopus 로고
    • Conformational adaptation of nuclear receptor ligand binding domains to agonists: Potential for novel approaches to ligand design
    • DOI 10.1016/j.jsbmb.2005.01.004, Proceedings of the 16th Internatioanl Symposium of the Journal of Steroid Biochemistry and Molecular Biology
    • M Togashi S Borngraeber B Sandler RJ Fletterick P Webb JD Baxter 2005 Conformational adaptation of nuclear receptor ligand binding domains to agonists: potential for novel approaches to ligand design J Steroid Biochem 93 127 137 1:CAS:528:DC%2BD2MXjs1Crur8%3D 10.1016/j.jsbmb.2005.01.004 (Pubitemid 40602485)
    • (2005) Journal of Steroid Biochemistry and Molecular Biology , vol.93 , Issue.2-5 , pp. 127-137
    • Togashi, M.1    Borngraeber, S.2    Sandler, B.3    Fletterick, R.J.4    Webb, P.5    Baxter, J.D.6
  • 48
    • 33645923414 scopus 로고    scopus 로고
    • Linear interaction energy models for beta-secretase (BACE) inhibitors: Role of van der Waals, electrostatic, and continuum-solvation terms
    • 1:CAS:528:DC%2BD28XjtFagsro%3D 10.1016/j.jmgm.2005.10.002
    • BA Tounge RT Rajarnani EW Baxter AB Reitz CH Reynolds 2006 Linear interaction energy models for beta-secretase (BACE) inhibitors: role of van der Waals, electrostatic, and continuum-solvation terms J Mol Graph Mod 24 475 484 1:CAS:528:DC%2BD28XjtFagsro%3D 10.1016/j.jmgm.2005.10.002
    • (2006) J Mol Graph Mod , vol.24 , pp. 475-484
    • Tounge, B.A.1    Rajarnani, R.T.2    Baxter, E.W.3    Reitz, A.B.4    Reynolds, C.H.5
  • 49
    • 0842304419 scopus 로고    scopus 로고
    • Prediction of Ligand Binding Affinity and Orientation of Xenoestrogens to the Estrogen Receptor by Molecular Dynamics Simulations and the Linear Interaction Energy Method
    • DOI 10.1021/jm0309607
    • MMH van Lipzig AM ter Laak A Jongejan NPE Vermeulen M Wamelink D Geerke JHN Meerman 2004 Prediction of ligand binding affinity and orientation of xenoestrogens to the estrogen receptor by molecular dynamics simulations and the linear interaction energy method J Med Chem 47 1018 1030 10.1021/jm0309607 14761204 (Pubitemid 38176805)
    • (2004) Journal of Medicinal Chemistry , vol.47 , Issue.4 , pp. 1018-1030
    • Van Lipzig, M.M.H.1    Ter Laak, A.M.2    Jongejan, A.3    Vermeulen, N.P.E.4    Wamelink, M.5    Geerke, D.6    Meerman, J.H.N.7
  • 51
    • 0032867623 scopus 로고    scopus 로고
    • Nuclear-receptor ligands and ligand-binding domains
    • DOI 10.1146/annurev.biochem.68.1.559
    • RV Weatherman RJ Fletterick TS Scanlan 1999 Nuclear-receptor ligands and ligand-binding domains Annu Rev Biochem 68 559 581 1:CAS:528:DyaK1MXlvFajtrw%3D 10.1146/annurev.biochem.68.1.559 10872460 (Pubitemid 29449203)
    • (1999) Annual Review of Biochemistry , vol.68 , pp. 559-581
    • Weatherman, R.V.1    Fletterick, R.J.2    Scanlan, T.S.3
  • 53
    • 0034964207 scopus 로고    scopus 로고
    • Physiological and molecular basis of thyroid hormone action
    • 1:CAS:528:DC%2BD3MXlt1Ohsrw%3D 11427693
    • PM Yen 2001 Physiological and molecular basis of thyroid hormone action Physiol Rev 81 1097 1142 1:CAS:528:DC%2BD3MXlt1Ohsrw%3D 11427693
    • (2001) Physiol Rev , vol.81 , pp. 1097-1142
    • Yen, P.M.1


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.