SCOPUS 정보 검색 플랫폼

Journal of Computer-Aided Molecular Design

Volumn 16, Issue 1, 2002, Pages 1-10

3D hydrogen bond thermodynamics (HYBOT) potentials in molecular modelling

(2) Raevsky, Oleg A a Skvortsov, Vladlen S b

a INSTITUTE OF PHYSIOLOGICALLY ACTIVE COMPOUNDS (Russian Federation)

b INSTITUTE OF BIOMEDICAL CHEMISTRY (Russian Federation)

Author keywords

Distance function; Enthalpy; H bonding; Molecular modelling; Optimum distance; Optimum energy

Indexed keywords

HYDROGEN BONDS; MOLECULAR MODELING;

BOND ACCEPTORS; BOND INTERACTIONS; DISTANCE FUNCTIONS; ENERGY; H-BONDING; H-BONDS; NEW APPROACHES; OPTIMUM DISTANCE; OPTIMUM ENERGY; THERMODYNAMIC POTENTIALS;

ENTHALPY;

DOUBLE STRANDED RNA; RNA;

ACCURACY; ARTICLE; BASE PAIRING; CALCULATION; COMPUTER PROGRAM; CONTROLLED STUDY; DEVICE; ENERGY; ENTHALPY; FORCE; HYDROGEN BOND; MOLECULAR INTERACTION; MOLECULAR MODEL; PRIORITY JOURNAL; THERMODYNAMICS; THREE DIMENSIONAL IMAGING; CHEMICAL STRUCTURE; CHEMISTRY; COMPUTER SIMULATION; CONFORMATION; X RAY DIFFRACTION;

COMPUTER SIMULATION; HYDROGEN BONDING; MODELS, MOLECULAR; NUCLEIC ACID CONFORMATION; RNA; SOFTWARE; THERMODYNAMICS; X-RAY DIFFRACTION;

EID: 0036022959 PISSN: 0920654X EISSN: None Source Type: Journal
DOI: 10.1023/A:1016361910530 Document Type: Article

Times cited : (18)

References (33)

1
- 0002655507
- (in Russian). Chem. Abst., 97 (1982) 33128d
- (1982) Khim-Pharm. Z , vol.16 , pp. 583
- Raevsky, O.A.¹ Novikov, V.V.²

2
- 0002549544
- (in Russian). Chem. Abst., 97 (1982) 181323d
- (1982) Khim-Pharm. Z , vol.16 , pp. 968
- Raevsky, O.A.¹ Avidon, V.V.² Novikov, V.P.³

3
- 0003862382
- Hadzi, D. and Jerman Blazic, B. (eds), Elsevier, Amsterdam
- (1987) QSAR in Drug Design and Toxicology , pp. 31-36
- Raevsky, O.A.¹

4
- 0026522655
- (1992) Quant. Struct.-Act. Relat , vol.11 , pp. 49
- Raevsky, O.A.¹ Grigor'ev, V.Ju.² Kireev, D.B.³ Zefirov, N.S.⁴

5
- 0009918827
- HYBOT program package, Registration by Russian State Patent Agency No. 990090 of 26.02.99
- Raevsky, O.A.¹ Grigor'ev, V.Ju.² Trepalin, S.V.³

6
- 0009943329
- HYBOT program package for UNIX or Windows 95/98/2000/NT. Molpro Project, Chernogolovka, Moscow region, Russia (raevskyιpac.ac.ru). In USA and Canada Reckon.dat.consulting, Lyme, CT (reckon.datαttglobal.net)

7
- 0002326531
- van de Waterbeemd, Testa, B. and Folkers, G. (eds), Willey-VCH, Weinheim
- (1997) Computer-Assisted Lead Finding and Optimization , pp. 369-378
- Raevsky, O.A.¹

8
- 0009943528
- (1997) J. Phys. Org. Chem , vol.10 , pp. 404
- Raevsky, O.A.¹

9
- 0029586174
- (1995) Quant. Struct.-Act. Relat , vol.14 , pp. 433
- Raevsky, O.A.¹ Schaper, K.-J.² Seydel, J.K.³

10
- 0032321367
- (1998) Eur. J. Med. Chem , vol.33 , pp. 799
- Raevsky, O.A.¹ Schaper, K.-J.²

11
- 0001787043
- Guntertofte, K. and Jorgensen, F.S. (eds), Kluwer Academic/Plenum Publishers, New York, NY
- (2000) , pp. 221-227
- Raevsky, O.A.¹ Schaper, K.-J.² Waterbeemd, H.³ McFarland, J.W.⁴

12
- 0033768272
- (2000) Quant. Struct.-Act. Relat , vol.19 , pp. 366
- Raevsky, O.A.¹ Fetisov, V.I.² Trepalina, E.P.³ McFarland, J.W.⁴ Schaper, K.-J.⁵

13
- 0035226643
- (2001) SAR & QSAR Environ. Res , vol.12 , pp. 367
- Raevsky, O.A.¹

14
- 0001003113
- Hanch, C., Sammes, P.G., Taylor, J.B. and Ramsden, C.A. (eds), Pergamon Press, Oxford
- (1990) Comprehensive Medicinal Chemistry , vol.4 , pp. 125-138
- Siebel, G.L.¹ Kollmann, P.A.²

15
- 1542739415
- Kubinyi, H., Folkers, G. and Martin, Y.C. (eds), Kluwer/Escom, Dordrecht
- (1998) 3D QSAR in Drug Design: Ligand-Protein Interactions and Molecular Similarity , pp. 3-17
- Liljefors, T.¹

16
- 0023751431
- (1988) J. Am. Chem. Soc , vol.110 , pp. 5959
- Cramer R.D. III¹ Patterson, D.E.² Bunce, J.D.³

17
- 0028135684
- (1994) Biochemistry , vol.33 , pp. 11476
- Rognan, D.¹ Scopozza, L.² Folkers, G.³ Daser, A.⁴

18
- 0028325249
- (1994) J. Med. Chem , vol.34 , pp. 616
- Taylor, N.R.¹ von Itzstein, M.²

19
- 0028287528
- (1994) J. Mol. Biol , vol.237 , pp. 212
- Klebe, G.¹

20
- 1542529333
- Kubinyi, H., Folkers, G. and Martin, Y.C. (eds), Kluwer/Escom, Dordrecht
- (1998) 3D QSAR in Drug Design: Ligand-Protein Interactions and Molecular Similarity , pp. 35-61
- Oprea, T.I.¹ Marshall, G.R.²

21
- 0021871375
- (1985) J. Med. Chem , vol.28 , pp. 849
- Goodford, P.J.¹

22
- 0024566942
- (1989) J. Med. Chem , vol.32 , pp. 1083
- Boobbyer, D.N.A.¹ Goodford, P.J.² McWhinnie, P.M.³ Wade, R.C.⁴

23
- 0027439587
- (1993) J. Med. Chem , vol.36 , pp. 140
- Wade, R.C.¹ Clark, K.² Goodford, P.J.³

24
- 0027510004
- (1993) J. Med. Chem , vol.36 , pp. 148
- Wade, R.C.¹ Clark, K.² Goodford, P.J.³

25
- 0000746745
- (1996) J. Chemometrics , vol.10 , pp. 107
- Goodford, P.J.¹

26
- 0022358609
- (1985) J. Am. Chem. Soc , vol.107 , pp. 7653
- Vedani, A.¹ Dunitz, J.D.²

27
- 84988103838
- (1986) J. Comput. Chem , vol.7 , pp. 591
- Nilsson, L.¹ Karplus, M.²

28
- 0013060563
- Testa, B., van de Waterbeemd, H., Folkers, G. and Guy, R. (eds), Weinheim, Willey-VCH
- (2001) Pharmokinetic Optimization in Drug Research , pp. 513-524
- Caron, G.¹ Rey, S.² Ermondi, G.³ Crivori, P.⁴ Guillard, P.⁵ Carrupt, P.-A.⁶ Testa, B.⁷

29
- 12044255753
- (1993) Chem. Soc. Rev , vol.22 , pp. 73
- Abraham, M.H.¹

30
- 0001222555
- (1981) J. Am. Chem. Soc , vol.103 , pp. 3250
- Kroeger, M.K.¹ Drago, R.S.²

31
- 0030333470
- (1996) J. Comput. Aid. Mol. Des , vol.10 , pp. 607
- Mills, J.E.J.¹ Dean, P.M.²

32
- 0009918828
- Cambridge Structural Database, version 5.20, October
- (2000)

33
- 0009921741
- Sybyl 6.7, Tripos Inc., 1699 South Hanley Road, St Louis, Missouri, 63144, USA.

* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.