SCOPUS 정보 검색 플랫폼

Journal of Computer-Aided Molecular Design

Volumn 25, Issue 1, 2011, Pages 81-101

Molecular and structural determinants of adamantyl susceptibility to HLA-DRs allelic variants: An in silico approach to understand the mechanism of MLEs

(2) Zaheer Ul Haq, b Khan, Waqasuddin a

a UNIVERSITY OF KARACHI (Pakistan)

b NONE

Author keywords

Adamantyl compounds; Docking; Human leucocytes antigen; Major histocompatibility complex; Molecular dynamics simulation; Polymorphism

Indexed keywords

AMINO ACIDS; ANTIGENS; CELL MEMBRANES; CONFORMATIONS; HYDROGEN BONDS; LOADING; MOLECULES; PEPTIDES; REACTION KINETICS;

ADAMANTYL COMPOUNDS; ALLELIC VARIANTS; COMPLEX MOLECULES; DOCKING; DYNAMICS SIMULATION; HUMAN LEUKOCYTE ANTIGEN; MAJOR HISTOCOMPATIBILITY COMPLEX; MOLECULAR DETERMINANTS; MOLECULAR DYNAMIC SIMULATION; SIMULATION STUDIES;

MOLECULAR DYNAMICS;

1 PROPIONYLADAMANTANE; 1 [2 (N,N DIMETHYLAMINO)ETHOXYCARBONYL] 3,5,7 TRIMETHYLADAMANTANE; 1 [2 (N,N DIMETHYLAMINO)ETHOXYCARBONYL]ADAMANTANE; 2 (1 ADAMANTYL)ETHANOL; 3 (1 ADAMANTYL) 5 HYDRAZIDOCARBONYL 1H PYRAZOLE; 4 (1 ADAMANTYL)BENZENESULFONAMIDE; ADAMANTANE DERIVATIVE; GLYCINE; HLA DR1 ANTIGEN; LEUCINE; MAJOR HISTOCOMPATIBILITY ANTIGEN CLASS 2; PROLINE; UNCLASSIFIED DRUG; VALINE;

ARTICLE; BINDING AFFINITY; BINDING SITE; CHEMICAL ANALYSIS; CHEMICAL BINDING; CHEMICAL STRUCTURE; COMPUTER MODEL; GENETIC VARIABILITY; HYDROGEN BOND; LOADING TEST; MOLECULAR DOCKING; MOLECULAR DYNAMICS; MOLECULAR INTERACTION; PRIORITY JOURNAL; PROCESS OPTIMIZATION; RESIDUE ANALYSIS;

EID: 78651242465 PISSN: 0920654X EISSN: 15734951 Source Type: Journal
DOI: 10.1007/s10822-010-9404-y Document Type: Article

Times cited : (20)

References (56)

1
- 15244338630
- + T cells
- DOI 10.1016/j.immuni.2005.02.003
- A Corthay DK Skovseth KU Lundin E Røsjø H Omholt PO Hofgaard G Haraldsen B Bogen 2005 Immunity 22 371 383 1:CAS:528: DC%2BD2MXjt1Ohtr4%3D 10.1016/j.immuni.2005.02.003 (Pubitemid 40387478)
- (2005) Immunity , vol.22 , Issue.3 , pp. 371-383
- Corthay, A.¹ Skovseth, D.K.² Lundin, K.U.³ Rosjo, E.⁴ Omholt, H.⁵ Hofgaard, P.O.⁶ Haraldsen, G.⁷ Bogen, B.⁸

2
- 30044439442
- MHC class II compartment subtypes: Structure and function
- DOI 10.1016/j.coi.2005.11.005, PII S0952791505001986, Innate Immunity/Antigen Processing and Recognition
- LJ Stern I Potolicchio L Santambrogio 2006 Curr Opin Immunol 18 64 69 1:CAS:528:DC%2BD28XhvFOgtg%3D%3D 10.1016/j.coi.2005.11.005 (Pubitemid 43049650)
- (2006) Current Opinion in Immunology , vol.18 , Issue.1 , pp. 64-69
- Stern, L.J.¹ Potolicchio, I.² Santambrogio, L.³

3
- 0035145332
- Antigen processing in the endocytic compartment
- DOI 10.1016/S0952-7915(00)00177-1
- C Watts 2001 Curr Opin Immunol 13 26 31 1:CAS:528:DC%2BD3MXhtFChs7s%3D 10.1016/S0952-7915(00)00177-1 (Pubitemid 32096956)
- (2001) Current Opinion in Immunology , vol.13 , Issue.1 , pp. 26-31
- Watts, C.¹

4
- 0036174635
- Binding interactions between peptides and proteins of the class II Major Histocompatibility Complex
- DOI 10.1002/med.10006
- BJ McFarland C Beeson 2002 Med Res Rev 22 168 203 1:CAS:528: DC%2BD38Xit1Wru7Y%3D 10.1002/med.10006 (Pubitemid 34160584)
- (2002) Medicinal Research Reviews , vol.22 , Issue.2 , pp. 168-203
- McFarland, B.J.¹ Beeson, C.²

5
- 0028348369
- Crystal structure of the human class II MHC protein HLA-DR1 complexed with an influenza virus peptide
- DOI 10.1038/368215a0
- LJ Stern JH Brown TS Jardetzky JC Gorga RG Urban JL Strominger DC Wiley 1994 Nature 368 215 221 1:CAS:528:DyaK2cXktlaltLs%3D 10.1038/368215a0 (Pubitemid 24108837)
- (1994) Nature , vol.368 , Issue.6468 , pp. 215-221
- Stern, L.J.¹ Brown, J.H.² Jardetzky, T.S.³ Gorga, J.C.⁴ Urban, R.G.⁵ Strominger, J.L.⁶ Wiley, D.C.⁷

6
- 0027217789
- Three-dimensional structure of the human class II histocompatibility antigen HLA-DR1
- DOI 10.1038/364033a0
- JH Brown TS Jardetzky JC Gorga LJ Stern RG Urban JL Strominger DC Wiley 1993 Nature 364 33 39 1:CAS:528:DyaK3sXkslSjsrc%3D 10.1038/364033a0 (Pubitemid 23233452)
- (1993) Nature , vol.364 , Issue.6432 , pp. 33-39
- Brown, J.H.¹ Jardetzky, T.S.² Gorga, J.C.³ Stern, L.J.⁴ Urban, R.G.⁵ Strominger, J.L.⁶ Wiley, D.C.⁷

7
- 26244456282
- Recognition of open conformers of classical MHC by chaperones and monoclonal antibodies
- DOI 10.1111/j.0105-2896.2005.00315.x
- TH Hansen L Lybarger L Yu V Mitaksov DH Fremont 2005 Immunol Rev 207 100 111 1:CAS:528:DC%2BD2MXhtFOqtL7J 10.1111/j.0105-2896.2005.00315.x (Pubitemid 41415011)
- (2005) Immunological Reviews , vol.207 , pp. 100-111
- Hansen, T.H.¹ Lybarger, L.² Yu, L.³ Mitaksov, V.⁴ Fremont, D.H.⁵

8
- 11144356225
- Monoclonal Antibodies Specific for the Empty Conformation of HLA-DR1 Reveal Aspects of the Conformational Change Associated with Peptide Binding
- DOI 10.1074/jbc.M314315200
- GJ Carven S Chitta I Hilgert MM Rushe RF Baggio M Palmer JE Arenas JL Strominger V Horejsi L Santambrogio 2004 J Biol Chem 279 16561 16570 1:CAS:528:DC%2BD2cXivF2qtbs%3D 10.1074/jbc.M314315200 (Pubitemid 38509356)
- (2004) Journal of Biological Chemistry , vol.279 , Issue.16 , pp. 16561-16570
- Carven, G.J.¹ Chitta, S.² Hilgert, I.³ Rushe, M.M.⁴ Baggio, R.F.⁵ Palmer, M.⁶ Arenas, J.E.⁷ Strominger, J.L.⁸ Horejsi, V.⁹ Santambrogio, L.¹⁰ Stern, L.J.¹¹

9
- 48749111890
- 10.1371/journal.pone.0002403
- CA Painter A Cruz GE López LJ Stern Z Zavala-Ruiz 2008 PLoS ONE 3 e2403 10.1371/journal.pone.0002403
- (2008) PLoS ONE , vol.3 , pp. 2403
- Painter, C.A.¹ Cruz, A.² López, G.E.³ Stern, L.J.⁴ Zavala-Ruiz, Z.⁵

10
- 0033522437
- A conformational change in the human major histocompatibility complex protein HLA-DR1 induced by peptide binding
- DOI 10.1021/bi983048m
- JA Zarutskie AK Sato MM Rushe IC Chan A Lomakin GB Benedek LJ Stern 1999 Biochemistry 38 5878 5887 1:CAS:528:DyaK1MXitlahtL8%3D 10.1021/bi983048m (Pubitemid 29220610)
- (1999) Biochemistry , vol.38 , Issue.18 , pp. 5878-5887
- Zarutskie, J.A.¹ Sato, A.K.² Rushe, M.M.³ Chan, I.C.⁴ Lomakin, A.⁵ Benedek, G.B.⁶ Stern, L.J.⁷

11
- 0034684671
- HLA-DM recognizes the flexible conformation of major histocompatibility complex class II
- DOI 10.1084/jem.192.12.1697
- CL Chou S Sadegh-Nasseri 2000 J Exp Med 192 1697 1706 1:CAS:528:DC%2BD3cXptVKmsb8%3D 10.1084/jem.192.12.1697 (Pubitemid 32049763)
- (2000) Journal of Experimental Medicine , vol.192 , Issue.12 , pp. 1697-1706
- Chou, C.-L.¹ Sadegh-Nasseri, S.²

12
- 0032212792
- 1:CAS:528:DyaK1cXnvFWrsr8%3D 10.1016/S1074-7613(00)80667-6
- JD Rabinowitz M Vrljic PM Kasson MN Liang R Busch JJ Boniface MM Davis HM McConnell 1998 Immunity 9 699 710 1:CAS:528:DyaK1cXnvFWrsr8%3D 10.1016/S1074-7613(00)80667-6
- (1998) Immunity , vol.9 , pp. 699-710
- Rabinowitz, J.D.¹ Vrljic, M.² Kasson, P.M.³ Liang, M.N.⁴ Busch, R.⁵ Boniface, J.J.⁶ Davis, M.M.⁷ McConnell, H.M.⁸

13
- 0033548189
- Conformational isomers of a class II MHC-peptide complex in solution
- DOI 10.1006/jmbi.1998.2463
- L Schmitt JJ Boniface MM Davis HM McConnell 1999 J Mol Biol 286 207 218 1:CAS:528:DyaK1MXhtV2hu78%3D 10.1006/jmbi.1998.2463 (Pubitemid 29078406)
- (1999) Journal of Molecular Biology , vol.286 , Issue.1 , pp. 207-218
- Schmitt, L.¹ Boniface, J.J.² Davis, M.M.³ McConnell, H.M.⁴

14
- 0032418812
- The critical need for CD4 help in maintaining effective cytotoxic T lymphocyte responses
- DOI 10.1084/jem.188.12.2199
- SA Kalams BD Walker 1998 J Exp Med 188 2199 2204 1:CAS:528: DyaK1MXhtFaruw%3D%3D 10.1084/jem.188.12.2199 (Pubitemid 29028492)
- (1998) Journal of Experimental Medicine , vol.188 , Issue.12 , pp. 2199-2204
- Kalams, S.A.¹ Walker, B.D.²

15
- 0032433127
- + T cells in the antitumor immune response
- DOI 10.1084/jem.188.12.2357
- K Hung R Hayashi A Lafond-Walker C Lowenstein D Pardoll H Levitsky 1998 J Exp Med 188 2357 2368 1:CAS:528:DyaK1MXhtFejtw%3D%3D 10.1084/jem.188.12.2357 (Pubitemid 29028508)
- (1998) Journal of Experimental Medicine , vol.188 , Issue.12 , pp. 2357-2368
- Hung, K.¹ Hayashi, R.² Lafond-Walker, A.³ Lowenstein, C.⁴ Pardoll, D.⁵ Levitsky, H.⁶

16
- 0037321893
- Small-molecular compounds enhance the loading of APC with encephalitogenic MBP protein
- DOI 10.1016/S0896-8411(02)00107-5
- V Marin-Esteban K Falk O Rötzschke 2003 J Autoimmune 20 63 69 1:CAS:528:DC%2BD3sXktVOhs70%3D 10.1016/S0896-8411(02)00107-5 (Pubitemid 36207628)
- (2003) Journal of Autoimmunity , vol.20 , Issue.1 , pp. 63-69
- Marin-Esteban, V.¹ Falk, K.² Rotzschke, O.³

17
- 10944263783
- "Chemical analogues" of HLA-DM can induce a peptide-receptive state in HLA-DR molecules
- DOI 10.1074/jbc.M407598200
- V Marin-Esteban K Falk O Rotzschke 2004 J Biol Chem 279 50684 50690 1:CAS:528:DC%2BD2cXhtVaru7rF 10.1074/jbc.M407598200 (Pubitemid 40017805)
- (2004) Journal of Biological Chemistry , vol.279 , Issue.49 , pp. 50684-50690
- Marin-Esteban, V.¹ Falk, K.² Rotzschke, O.³

18
- 33646038285
- 1:CAS:528:DC%2BD28Xis1eqsr8%3D
- MJ Nicholson B Moradi NP Seth X Xing GD Cuny RL Stein KW Wucherpfennig 2006 J Immunol 176 4208 4220 1:CAS:528:DC%2BD28Xis1eqsr8%3D
- (2006) J Immunol , vol.176 , pp. 4208-4220
- Nicholson, M.J.¹ Moradi, B.² Seth, N.P.³ Xing, X.⁴ Cuny, G.D.⁵ Stein, R.L.⁶ Wucherpfennig, K.W.⁷

19
- 33846018428
- Small organic compounds enhance antigen loading of class II major histocompatibility complex proteins by targeting the polymorphic P1 pocket
- DOI 10.1074/jbc.M606437200
- S Hopner K Dickhaut M Hofstatter H Kramer D Ruckerl JA Soderhall S Gupta V Marin-Esteban R Kuhne C Freund 2006 J Biol Chem 281 38535 38542 10.1074/jbc.M606437200 (Pubitemid 46041978)
- (2006) Journal of Biological Chemistry , vol.281 , Issue.50 , pp. 38535-38542
- Hopner, S.¹ Dickhaut, K.² Hofstatter, M.³ Kramer, H.⁴ Ruckerl, D.⁵ Soderhall, J.A.⁶ Gupta, S.⁷ Marin-Esteban, V.⁸ Kuhne, R.⁹ Freund, C.¹⁰ Jung, G.¹¹ Falk, K.¹² Rotzschke, O.¹³

20
- 46349107222
- Anchor side chains of short peptide fragments trigger ligand-exchange of Class II MHC molecules
- DOI 10.1371/journal.pone.0001814
- S Gupta S Höpner B Rupp S Günther K Dickhaut N Agarwal MC Cardoso R Kühne KH Wiesmüller G Jung 2008 PLoS ONE 3 e1814 10.1371/journal.pone.0001814 (Pubitemid 351917376)
- (2008) PLoS ONE , vol.3 , Issue.3
- Gupta, S.¹ Hopner, S.² Rupp, B.³ Gunther, S.⁴ Dickhaut, K.⁵ Agarwal, N.⁶ Cardoso, M.C.⁷ Kuhne, R.⁸ Wiesmuller, K.-H.⁹ Jung, G.¹⁰ Falk, K.¹¹ Rotzschke, O.¹²

21
- 0037169536
- Ligand exchange of major histocompatibility complex class II proteins is triggered by H-bond donor groups of small molecules
- DOI 10.1074/jbc.M109098200
- K Falk JM Lau L Santambrogio VM Esteban F Puentes O Rötzschke JL Strominger 2002 J Biol Chem 277 2709 2715 1:CAS:528:DC%2BD38XhtVSgsbo%3D 10.1074/jbc.M109098200 (Pubitemid 34953299)
- (2002) Journal of Biological Chemistry , vol.277 , Issue.4 , pp. 2709-2715
- Falk, K.¹ Lau, J.M.² Santambrogio, L.³ Esteban, V.M.⁴ Puentes, F.⁵ Rotzschke, O.⁶ Strominger, J.L.⁷

22
- 33645290018
- 1:CAS:528:DC%2BD28XivVyru7s%3D 10.1038/nri1805
- EY Jones L Fugger JL Strominger C Siebold 2006 Nat Rev Immunol 6 271 282 1:CAS:528:DC%2BD28XivVyru7s%3D 10.1038/nri1805
- (2006) Nat Rev Immunol , vol.6 , pp. 271-282
- Jones, E.Y.¹ Fugger, L.² Strominger, J.L.³ Siebold, C.⁴

23
- 0029055938
- 1:CAS:528:DyaK2MXmtlajtr0%3D 10.1038/375603a0
- V Pinet M Vergelli R Martini O Bakke EO Long 1995 Nat 375 603 606 1:CAS:528:DyaK2MXmtlajtr0%3D 10.1038/375603a0
- (1995) Nat , vol.375 , pp. 603-606
- Pinet, V.¹ Vergelli, M.² Martini, R.³ Bakke, O.⁴ Long, E.O.⁵

24
- 0030905131
- HLA-DR-restricted presentation of purified myelin basic protein is independent of intracellular processing
- DOI 10.1002/eji.1830270421
- M Vergelli V Pinet AB Vogt M Kalbus M Malnati P Riccio EO Long R Martin 1997 Eur J Immunol 27 941 951 1:CAS:528:DyaK2sXislShtrw%3D 10.1002/eji. 1830270421 (Pubitemid 27153665)
- (1997) European Journal of Immunology , vol.27 , Issue.4 , pp. 941-951
- Vergelli, M.¹ Pinet, V.² Vogt, A.B.³ Kaibus, M.⁴ Malnati, M.⁵ Riccio, P.⁶ Long, E.O.⁷ Martin, R.⁸

25
- 0033592902
- Extracellular antigen processing and presentation by immature dendritic cells
- DOI 10.1073/pnas.96.26.15056
- L Santambrogio AK Sato GJ Carven SL Belyanskaya JL Strominger LJ Stern 1999 Proc Natl Acad Sci 96 15056 15061 1:CAS:528:DC%2BD3cXhtFaktQ%3D%3D 10.1073/pnas.96.26.15056 (Pubitemid 30019764)
- (1999) Proceedings of the National Academy of Sciences of the United States of America , vol.96 , Issue.26 , pp. 15056-15061
- Santambrogio, L.¹ Sato, A.K.² Carven, G.J.³ Belyanskaya, S.L.⁴ Strominger, J.L.⁵ Stern, L.J.⁶

26
- 0033592853
- Abundant empty class II MHC molecules on the surface of immature dendritic cells
- DOI 10.1073/pnas.96.26.15050
- L Santambrogio AK Sato FR Fischer ME Dorf LJ Stern 1999 Proc Natl Acad Sci 96 15050 15055 1:CAS:528:DC%2BD3cXhtFaktA%3D%3D 10.1073/pnas.96.26.15050 (Pubitemid 30019763)
- (1999) Proceedings of the National Academy of Sciences of the United States of America , vol.96 , Issue.26 , pp. 15050-15055
- Santambrogio, L.¹ Sato, A.K.² Fischer, F.R.³ Dorf, M.E.⁴ Stern, L.J.⁵

27
- 70349117004
- 10.1371/journal.pone.0006811
- K Dickhaut S Hoepner J Eckhard KH Wiesmueller L Schindler G Jung K Falk O Roetzschke 2009 PLoS One 4 e6811 10.1371/journal.pone.0006811
- (2009) PLoS One , vol.4 , pp. 6811
- Dickhaut, K.¹ Hoepner, S.² Eckhard, J.³ Wiesmueller, K.H.⁴ Schindler, L.⁵ Jung, G.⁶ Falk, K.⁷ Roetzschke, O.⁸

28
- 33749260698
- A critical assessment of docking programs and scoring functions
- DOI 10.1021/jm050362n
- GL Warren CW Andrews AM Capelli B Clarke J LaLonde MH Lambert M Lindvall N Nevins SF Semus S Senger 2006 J Med Chem 49 5912 5931 1:CAS:528: DC%2BD2MXnslOrtrY%3D 10.1021/jm050362n (Pubitemid 44484938)
- (2006) Journal of Medicinal Chemistry , vol.49 , Issue.20 , pp. 5912-5931
- Warren, G.L.¹ Andrews, C.W.² Capelli, A.-M.³ Clarke, B.⁴ LaLonde, J.⁵ Lambert, M.H.⁶ Lindvall, M.⁷ Nevins, N.⁸ Semus, S.F.⁹ Senger, S.¹⁰ Tedesco, G.¹¹ Wall, I.D.¹² Woolven, J.M.¹³ Peishoff, C.E.¹⁴ Head, M.S.¹⁵

29
- 78651230973
- International hwtcT
- International hwtcT

30
- 49149147973
- 1:CAS:528:DyaL3MXhslCjtbs%3D 10.1016/0040-4020(80)80168-2
- J Gasteiger M Marsili 1980 Tetrahedron 36 3219 3228 1:CAS:528: DyaL3MXhslCjtbs%3D 10.1016/0040-4020(80)80168-2
- (1980) Tetrahedron , vol.36 , pp. 3219-3228
- Gasteiger, J.¹ Marsili, M.²

31
- 84988115618
- 1:CAS:528:DyaK3cXhtlygsbk%3D 10.1002/jcc.540100804
- M Clark RD Cramer NV Opdenbosch 1989 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 Opdenbosch, N.V.³

32
- 37549024654
- HM Berman 2007 Acta Cryst 64 88 95
- (2007) Acta Cryst , vol.64 , pp. 88-95
- Berman, H.M.¹

33
- 0031572833
- 1:CAS:528:DyaK2sXntl2iu7c%3D 10.1016/S0969-2126(97)00288-8
- VL Murthy LJ Stern 1997 Struct 5 1385 1396 1:CAS:528:DyaK2sXntl2iu7c%3D 10.1016/S0969-2126(97)00288-8
- (1997) Struct , vol.5 , pp. 1385-1396
- Murthy, V.L.¹ Stern, L.J.²

34
- 0028773294
- Antigenic peptide binding by class I and class II histocompatibility proteins
- DOI 10.1016/S0969-2126(00)00026-5
- LJ Stern DC Wiley 1994 Structure 2 245 251 1:CAS:528:DyaK2cXkvVSgu7o%3D 10.1016/S0969-2126(00)00026-5 (Pubitemid 2073189)
- (1994) Structure , vol.2 , Issue.4 , pp. 245-251
- Stern, L.J.¹ Wiley, D.C.²

35
- 0032547858
- Crystal structure of HLA-DR2 (DRA*0101, DRB1*1501) Complexed with a peptide from human myelin basic protein
- DOI 10.1084/jem.188.8.1511
- KJ Smith J Pyrdol L Gauthier DC Wiley KW Wucherpfennig 1998 J Exp Med 188 1511 1520 1:CAS:528:DyaK1cXmslKlur8%3D 10.1084/jem.188.8.1511 (Pubitemid 28489588)
- (1998) Journal of Experimental Medicine , vol.188 , Issue.8 , pp. 1511-1520
- Smith, K.J.¹ Pyrdol, J.² Gauthier, L.³ Wiley, D.C.⁴ Wucherpfennig, K.W.⁵

36
- 0034711376
- 1:CAS:528:DC%2BD3cXotVOhurw%3D 10.1006/jmbi.2000.4198
- Y Li H Li R Martin RA Mariuzza 2000 J Mol Biol 304 177 188 1:CAS:528:DC%2BD3cXotVOhurw%3D 10.1006/jmbi.2000.4198
- (2000) J Mol Biol , vol.304 , pp. 177-188
- Li, Y.¹ Li, H.² Martin, R.³ Mariuzza, R.A.⁴

37
- 33744826819
- MolDock: A new technique for high-accuracy molecular docking
- DOI 10.1021/jm051197e
- R Thomsen MH Christensen 2006 J Med Chem 49 3315 3321 1:CAS:528:DC%2BD28XjvFyiu7w%3D 10.1021/jm051197e (Pubitemid 43830529)
- (2006) Journal of Medicinal Chemistry , vol.49 , Issue.11 , pp. 3315-3321
- Thomsen, R.¹ Christensen, M.H.²

38
- 78651233909
- Z M (1992) Spinger, Berlin
- Z M (1992) Spinger, Berlin

39
- 0003615802
- Spinger Berlin
- Michalewiez ZFD (2000) How to solve it: modern heuristics. Spinger, Berlin
- (2000) How to Solve It: Modern Heuristics
- Michalewiez, Z.F.D.¹

40
- 78651238240
- J.R. McDonnell R.G. Reynolds D.B. Fogel (eds). Massachusetts Institute of Technology USA
- Gehlhaar DK, Verkhivker G, Rejto PA, Fogel DB, Fogel LJ, Freer ST (1995) In: McDonnell JR, Reynolds RG, Fogel DB (eds) Proceedings of the fourth international conference on evolutionary programming. Massachusetts Institute of Technology, USA
- (1995) Proceedings of the Fourth International Conference on Evolutionary Programming
- Gehlhaar, D.K.¹ Verkhivker, G.² Rejto, P.A.³ Fogel, D.B.⁴ Fogel, L.J.⁵ Freer, S.T.⁶

41
- 78651227350
- V.W. Porto N. Saravanan D.E. Waagen A.E. Eiben (eds). Springer USA
- Gehlhaar DK, Bouzida D, Rejto PA (1998) In: Porto VW, Saravanan N, Waagen DE, Eiben AE (eds) Proceedings of the seventh international conference on evolutionary programming. Springer, USA
- (1998) Proceedings of the Seventh International Conference on Evolutionary Programming
- Gehlhaar, D.K.¹ Bouzida, D.² Rejto, P.A.³

42
- 1842532062
- GEMDOCK: A Generic Evolutionary Method for Molecular Docking
- DOI 10.1002/prot.20035
- JM Yang CC Chen 2004 Proteins 55 288 304 1:CAS:528:DC%2BD2cXjtFKhsro%3D 10.1002/prot.20035 (Pubitemid 38437488)
- (2004) Proteins: Structure, Function and Genetics , vol.55 , Issue.2 , pp. 288-304
- Yang, J.-M.¹ Chen, C.-C.²

43
- 0344796204
- 1:CAS:528:DyaK3cXlsl2htL8%3D 10.1021/j100384a009
- J Aaqvist 1990 J Phys Chem 94 8021 8024 1:CAS:528:DyaK3cXlsl2htL8%3D 10.1021/j100384a009
- (1990) J Phys Chem , vol.94 , pp. 8021-8024
- Aaqvist, J.¹

44
- 23444454552
- The Amber biomolecular simulation programs
- DOI 10.1002/jcc.20290
- DA Case TE Cheatham III T Darden H Gohlke R Luo KM Merz Jr A Onufriev C Simmerling B Wang RJ Woods 2005 J Comp Chem 26 1668 1688 1:CAS:528: DC%2BD2MXht1SlsbbM 10.1002/jcc.20290 (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

45
- 2942532422
- 1:CAS:528:DC%2BD2cXksFakurc%3D 10.1002/jcc.20035
- J Wang RM Wolf JW Caldwell PA Kollman DA Case 2004 J Comp Chem 25 1157 1174 1:CAS:528:DC%2BD2cXksFakurc%3D 10.1002/jcc.20035
- (2004) J Comp 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

46
- 33645961739
- 1:CAS:528:DyaK2MXptlehtrw%3D
- U Essmann L Perera ML Berkowitz T Darden H Lee LG Pedersen 1995 J Comp Phys 103 8577 8593 1:CAS:528:DyaK2MXptlehtrw%3D
- (1995) J Comp 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
- 33646940952
- 1:CAS:528:DyaE2sXktVGhsL4%3D 10.1016/0021-9991(77)90098-5
- JP Ryckaert G Ciccotti HJC Berendsen 1977 J Comp Phys 23 327 341 1:CAS:528:DyaE2sXktVGhsL4%3D 10.1016/0021-9991(77)90098-5
- (1977) J Comp Phys , vol.23 , pp. 327-341
- Ryckaert, J.P.¹ Ciccotti, G.² Berendsen, H.J.C.³

48
- 0029878720
- VMD: Visual molecular dynamics
- DOI 10.1016/0263-7855(96)00018-5
- W Humphrey A Dalke K Schulten 1996 J Mol Graph 14 33 38 1:CAS:528:DyaK28Xis12nsrg%3D 10.1016/0263-7855(96)00018-5 (Pubitemid 26152973)
- (1996) Journal of Molecular Graphics , vol.14 , Issue.1 , pp. 33-38
- Humphrey, W.¹ Dalke, A.² Schulten, K.³

49
- 4444221565
- 1:CAS:528:DC%2BD2cXmvVOhsbs%3D 10.1002/jcc.20084
- EF Pettersen TD Goddard CC Huang GS Couch DM Greenblatt EC Meng TE Ferrin 2004 J Comp Chem 25 1605 1612 1:CAS:528:DC%2BD2cXmvVOhsbs%3D 10.1002/jcc.20084
- (2004) J Comp Chem , vol.25 , pp. 1605-1612
- Pettersen, E.F.¹ Goddard, T.D.² Huang, C.C.³ Couch, G.S.⁴ Greenblatt, D.M.⁵ Meng, E.C.⁶ Ferrin, T.E.⁷

50
- 0026015286
- D O'Sullivan T Arrhenius J Sidney MF Del Guercio M Albertson M Wall C Oseroff S Southwood SM Colon FC Gaeta 1991 J Immunol 147 2663 2669
- (1991) J Immunol , vol.147 , pp. 2663-2669
- O'Sullivan, D.¹ Arrhenius, T.² Sidney, J.³ Del Guercio, M.F.⁴ Albertson, M.⁵ Wall, M.⁶ Oseroff, C.⁷ Southwood, S.⁸ Colon, S.M.⁹ Gaeta, F.C.¹⁰

51
- 0028229115
- 1:STN:280:DyaK2c3mslWkuw%3D%3D
- A Geluk KE Van Meijgaarden S Southwood C Oseroff JW Drijfhout RR De Vries TH Ottenhoff A Sette 1994 J Immunol 152 5742 5748 1:STN:280: DyaK2c3mslWkuw%3D%3D
- (1994) J Immunol , vol.152 , pp. 5742-5748
- Geluk, A.¹ Van Meijgaarden, K.E.² Southwood, S.³ Oseroff, C.⁴ Drijfhout, J.W.⁵ De Vries, R.R.⁶ Ottenhoff, T.H.⁷ Sette, A.⁸

52
- 0028157322
- 1:CAS:528:DyaK2MXhs1eitQ%3D%3D 10.1007/BF00188785
- K Falk O Rötzschke S Stevanovíc G Jung HG Rammensee 1994 Immunogenetics 39 230 242 1:CAS:528:DyaK2MXhs1eitQ%3D%3D 10.1007/BF00188785
- (1994) Immunogenetics , vol.39 , pp. 230-242
- Falk, K.¹ Rötzschke, O.² Stevanovíc, S.³ Jung, G.⁴ Rammensee, H.G.⁵

53
- 84993285900
- A Vaught 1996 Linux J 1996 7
- (1996) Linux J , vol.1996 , pp. 7
- Vaught, A.¹

54
- 59949104315
- 1:CAS:528:DC%2BD1cXhsVKitbnI 10.1002/bip.21078
- R Yaneva S Springer M Zacharias 2009 Biopolymers 91 14 27 1:CAS:528:DC%2BD1cXhsVKitbnI 10.1002/bip.21078
- (2009) Biopolymers , vol.91 , pp. 14-27
- Yaneva, R.¹ Springer, S.² Zacharias, M.³

55
- 70349119901
- 1:CAS:528:DC%2BD1MXltlymsr8%3D 10.4049/jimmunol.0803464
- MJ Call X Xing GD Cuny NP Seth DM Altmann L Fugger M Krogsgaard RL Stein KW Wucherpfennig 2009 J Immunol 182 6342 6352 1:CAS:528:DC%2BD1MXltlymsr8%3D 10.4049/jimmunol.0803464
- (2009) J Immunol , vol.182 , pp. 6342-6352
- Call, M.J.¹ Xing, X.² Cuny, G.D.³ Seth, N.P.⁴ Altmann, D.M.⁵ Fugger, L.⁶ Krogsgaard, M.⁷ Stein, R.L.⁸ Wucherpfennig, K.W.⁹

56
- 0033103127
- CD4 T cells and their role in antitumor immune responses
- DOI 10.1084/jem.189.5.753
- REM Toes F Ossendorp R Offringa CJM Melief 1999 J Exp Med 189 753 756 1:CAS:528:DyaK1MXhsF2jurs%3D 10.1084/jem.189.5.753 (Pubitemid 29189679)
- (1999) Journal of Experimental Medicine , vol.189 , Issue.5 , pp. 753-756
- Toes, R.E.M.¹ Ossendorp, F.² Offringa, R.³ Melief, C.J.M.⁴

* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.