SCOPUS 정보 검색 플랫폼

Theoretical Chemistry Accounts

Volumn 112, Issue 4, 2004, Pages 313-317

Application of semiempirical quantum chemical methods as a scoring function in docking

(2) Vasilyev, V a Bliznyuk, A a

a AUSTRALIAN NATIONAL UNIVERSITY (Australia)

Author keywords

Docking; MOZYME; Semiempirical

Indexed keywords

BINDING AFFINITY; CALCULATION; COMBINATORIAL LIBRARY; CONFERENCE PAPER; EMPIRICISM; ENERGY TRANSFER; METHODOLOGY; MOLECULAR DYNAMICS; QUANTUM CHEMISTRY; SCORING SYSTEM;

EID: 4944222323 PISSN: 1432881X EISSN: None Source Type: Journal
DOI: 10.1007/s00214-004-0589-9 Document Type: Conference Paper

Times cited : (32)

References (28)

1
- 0037763817
- Wang R, Lu Y, Wang S (2003) J Med Chem 46:2287
- (2003) J Med Chem , vol.46 , pp. 2287
- Wang, R.¹ Lu, Y.² Wang, S.³

2
- 0036001094
- Grzybowski BA, Ishchenko AV, Shimada J, Shakhnovich EI (2002) Acc Chem Res 35:261
- (2002) Acc Chem Res , vol.35 , pp. 261
- Grzybowski, B.A.¹ Ishchenko, A.V.² Shimada, J.³ Shakhnovich, E.I.⁴

3
- 0036606483
- Halperin I, Ma B, Wolfson H, Nussinov R (2002) Proteins Struct Funct Genet 47:409
- (2002) Proteins Struct Funct Genet , vol.47 , pp. 409
- Halperin, I.¹ Ma, B.² Wolfson, H.³ Nussinov, R.⁴

4
- 0036520840
- Taylor RD, Jewsbury PJ, Essex JW (2002) J Comput-Aided Mol Des 16:151
- (2002) J Comput-Aided Mol des , vol.16 , pp. 151
- Taylor, R.D.¹ Jewsbury, P.J.² Essex, J.W.³

5
- 0035312864
- Gohlke H, Klebe G (2001) Curr Opin Struct Biol 11:231
- (2001) Curr Opin Struct Biol , vol.11 , pp. 231
- Gohlke, H.¹ Klebe, G.²

6
- 0035829446
- Pérez C, Ortiz AR (2001) J Med Chem 44:3768
- (2001) J Med Chem , vol.44 , pp. 3768
- Pérez, C.¹ Ortiz, A.R.²

7
- 0035765452
- Lipkowitz KB, Boyd DB (eds) Wiley-VCH, New York
- Muegge I, Rarey M (2001) In: Lipkowitz KB, Boyd DB (eds) Reviews in computational chemistry, vol 17. Wiley-VCH, New York, pp 1-60
- (2001) Reviews in Computational Chemistry , vol.17 , pp. 1-60
- Muegge, I.¹ Rarey, M.²

8
- 0035765461
- Lipkowitz KB, Boyd DB (eds) Wiley-VCH, New York
- Ehrlich LP, Wade RC (2001) In: Lipkowitz KB, Boyd DB (eds) Reviews in computational chemistry, vol 17. Wiley-VCH, New York, pp 61-97
- (2001) Reviews in Computational Chemistry , vol.17 , pp. 61-97
- Ehrlich, L.P.¹ Wade, R.C.²

9
- 0009590921
- Jorgensen WL (1989) Acc Chem Res 22:184
- (1989) Acc Chem Res , vol.22 , pp. 184
- Jorgensen, W.L.¹

10
- 0028155689
- Aqvist J, Medina C, Samuelsson J-E (1994) Protein Eng 7:385
- (1994) Protein Eng , vol.7 , pp. 385
- Aqvist, J.¹ Medina, C.² Samuelsson, J.-E.³

11
- 0032560959
- Srinivasan J, Cheatham TE III, Kollman P, Case DA (1998) J Am Chem Soc 120:9401
- (1998) J Am Chem Soc , vol.120 , pp. 9401
- Srinivasan, J.¹ Cheatham III, T.E.² Kollman, P.³ Case, D.A.⁴

12
- 0034521981
- Kollman PA, Massova I, Reyes C, Kuhn B, Huo S, Chong L, Lee M, Lee T, Duan Y, Wang W, Donini O, Cieplak P, Srinivasan J, Case DA, Cheatham TE III, (2000) Acc Chem Res 33:889
- (2000) Acc Chem Res , vol.33 , pp. 889
- Kollman, P.A.¹ Massova, I.² Reyes, C.³ Kuhn, B.⁴ Huo, S.⁵ Chong, L.⁶ Lee, M.⁷ Lee, T.⁸ Duan, Y.⁹ Wang, W.¹⁰ Donini, O.¹¹ Cieplak, P.¹² Srinivasan, J.¹³ Case, D.A.¹⁴ Cheatham III, T.E.¹⁵

13
- 0001563728
- Greatbanks SP, Gready JE, Limaye AC, Rendell AP (2000) J Comput Chem 21:788
- (2000) J Comput Chem , vol.21 , pp. 788
- Greatbanks, S.P.¹ Gready, J.E.² Limaye, A.C.³ Rendell, A.P.⁴

14
- 0037110471
- Titmuss SJ, Cummins PL, Rendell AP, Bliznyuk AA, Gready JE (2002) J Comput Chem 23:1314
- (2002) J Comput Chem , vol.23 , pp. 1314
- Titmuss, S.J.¹ Cummins, P.L.² Rendell, A.P.³ Bliznyuk, A.A.⁴ Gready, J.E.⁵

15
- 0035924827
- Bliznyuk AA, Rendell AP, Allen TW, Chung S-H (2001) J Phys Chem B 105:12674
- (2001) J Phys Chem B , vol.105 , pp. 12674
- Bliznyuk, A.A.¹ Rendell, A.P.² Allen, T.W.³ Chung, S.-H.⁴

16
- 0001131626
- Stewart JJP (1996) Int J Quantum Chem 58:133
- (1996) Int J Quantum Chem , vol.58 , pp. 133
- Stewart, J.J.P.¹

17
- 0037433242
- Clore GM, Kuszewski J (2003) J Am Chem Soc 125:1518
- (2003) J Am Chem Soc , vol.125 , pp. 1518
- Clore, G.M.¹ Kuszewski, J.²

18
- 0037234043
- Gouda H, Kuntz ID, Case DA, Kollman PA (2003) Biopolymers 68:16
- (2003) Biopolymers , vol.68 , pp. 16
- Gouda, H.¹ Kuntz, I.D.² Case, D.A.³ Kollman, P.A.⁴

19
- 0029011701
- Cornell WD, Cieplak P, Bayly CI, Gould IR, Merz KM Jr, Ferguson DM, Spellmeyer DC, Fox T, Caldwell JW, Kollman PA (1995) J Am Chem Soc 117:5179
- (1995) J Am Chem Soc , vol.117 , pp. 5179
- Cornell, W.D.¹ Cieplak, P.² Bayly, C.I.³ Gould, I.R.⁴ Merz Jr., K.M.⁵ Ferguson, D.M.⁶ Spellmeyer, D.C.⁷ Fox, T.⁸ Caldwell, J.W.⁹ Kollman, P.A.¹⁰

20
- 0035955550
- Dullweber F, Stubbs MT, Musil Cross D sign, Stürzebecher J, Klebe G (2001) J Mol Biol 313:593
- (2001) J Mol Biol , vol.313 , pp. 593
- Dullweber, F.¹ Stubbs, M.T.² Musil, D.³ Stürzebecher, J.⁴ Klebe, G.⁵

21
- 0033954256
- Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE (2000) Nucleic Acids Res 28:235
- (2000) Nucleic Acids Res , vol.28 , pp. 235
- Berman, H.M.¹ Westbrook, J.² Feng, Z.³ Gilliland, G.⁴ Bhat, T.N.⁵ Weissig, H.⁶ Shindyalov, I.N.⁷ Bourne, P.E.⁸

22
- 0842341771
- Dewar MJS, Zoebisch EG, Healy EF, Stewart JJP (1985) J Am Chem Soc 107:3902
- (1985) J Am Chem Soc , vol.107 , pp. 3902
- Dewar, M.J.S.¹ Zoebisch, E.G.² Healy, E.F.³ Stewart, J.J.P.⁴

23
- 84961980743
- Klamt A, Schüümann G (1993) J Chem Soc Perkin Trans 2 799
- (1993) J Chem Soc Perkin Trans , vol.2 , pp. 799
- Klamt, A.¹ Schüümann, G.²

24
- 4944230145
- Fujitsu, Tokyo, Japan
- Stewart JJP (1999) MOPAC 2002, version 1.01. Fujitsu, Tokyo, Japan
- (1999) MOPAC 2002, Version 1.01
- Stewart, J.J.P.¹

25
- 0008345093
- Voityuk AA, Bliznyuk AA (1988) J Mol Struct (THEOCHEM) 164:343
- (1988) J Mol Struct (THEOCHEM) , vol.164 , pp. 343
- Voityuk, A.A.¹ Bliznyuk, A.A.²

26
- 33748602856
- Turi L, Dannenberg JJ (1993) J Phys Chem 97:7899
- (1993) J Phys Chem , vol.97 , pp. 7899
- Turi, L.¹ Dannenberg, J.J.²

27
- 0030593395
- Hobza F, Hubalek F, Kabelac P. Majzlik M, Sponer J, Vondrasek J (1996) Chem Phys Lett 257:31
- (1996) Chem Phys Lett , vol.257 , pp. 31
- Hobza, F.¹ Hubalek, F.² Kabelac, P.³ Majzlik, M.⁴ Sponer, J.⁵ Vondrasek, J.⁶

28
- 0000807426
- Dannenberg JJ (1997) J Mol Struct (THEOCHEM) 401:279
- (1997) J Mol Struct (THEOCHEM) , vol.401 , pp. 279
- Dannenberg, J.J.¹

* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.