SCOPUS 정보 검색 플랫폼

Journal of Molecular Graphics and Modelling

Volumn 19, Issue 5, 2001, Pages 455-465

A new molecular simulation software package - Peking University Drug Design System (PKUDDS) for structure-based drug design

(2) Hou, Tingjun a Xu, Xiaojie a

a PEKING UNIVERSITY (China)

Author keywords

Comparative molecular field analysis (CoMFA); Computer aided drug design (CADD); Genetic algorithm (GA); PKUDDS; Quantitative structure activity relationships (QSAR); Structure based drug design

Indexed keywords

COMPUTER SIMULATION; COMPUTER SOFTWARE; CONFORMATIONS; DATABASE SYSTEMS; GENETIC ALGORITHMS; GRAPHICAL USER INTERFACES; MOLECULAR STRUCTURE; OPTIMIZATION; PERSONAL COMPUTERS;

DRUG DESIGN;

DRUG PRODUCTS;

ALGORITHM; COMPUTER PROGRAM; CONFERENCE PAPER; DATA BASE; DRUG DESIGN; GENETIC ANALYSIS; PRIORITY JOURNAL; STRUCTURE ACTIVITY RELATION; THREE DIMENSIONAL IMAGING;

ANTINEOPLASTIC AGENTS; ANTIVIRAL AGENTS; CARBOLINES; CHINA; CINNAMATES; COMPUTER SIMULATION; DRUG DESIGN; HEPACIVIRUS; LIGANDS; MODELS, MOLECULAR; MOLECULAR STRUCTURE; SOFTWARE; UNIVERSITIES;

EID: 0034957241 PISSN: 10933263 EISSN: None Source Type: Journal
DOI: 10.1016/S1093-3263(00)00094-2 Document Type: Conference Paper

Times cited : (18)

References (22)

1
- 0024821263
- Molecular Mechanics. The MM3 force field for hydrocarbon. 1
- (1989) J. Am. Chem. Soc. , vol.111 , pp. 8551-8565
- Allinger, N.L.¹ Yuh, Y.H.² Lii, J.H.³

2
- 0021757436
- A new force field for molecular mechanical simulation of nucleic acids and proteins
- (1984) J. Am. Chem. Soc. , vol.106 , pp. 765-784
- Weiner, S.J.¹ Kollman, P.A.² Case, D.A.³ Singh, U.C.⁴ Ghio, C.⁵ Alagona, G.⁶ Profeta S., Jr.⁷ Weiner, P.⁸

3
- 0033580016
- Conformational analysis of peptides using Monte Carlo simulations combined with the genetic algorithm
- (1999) Chemometr. Intell. Lab. , vol.45 , pp. 347-351
- Wang, J.M.¹ Hou, T.J.² Chen, L.R.³ Xu, X.J.⁴

4
- 0028467707
- Application of genetic function approximation to quantitative structure-activity relationships and quantitative structure-property relationships
- (1994) J. Chem. Inf. Comput. Sci. , vol.34 , pp. 854-866
- Roger, D.¹ Hopfinger, A.J.²

5
- 0033580126
- Applications of genetic algorithms on the structure-activity correlation study of a group of non-nucleoside HIV-1 inhibitors
- (1999) Chemometr. Intell. Lab. , vol.1-2 , pp. 303-310
- Hou, T.J.¹ Wang, J.M.² Xu, X.J.³

6
- 0033191625
- Applications of genetic algorithms on the structure-activity relationship analysis of some cinnamamides
- (1999) J. Chem. Inf. Comput. Sci. , vol.39 , pp. 775-781
- Hou, T.J.¹ Wang, J.M.² Liao, N.³ Xu, X.J.⁴

7
- 0023751431
- Comparative molecular field analysis (CoMFA). 1. Effect of shape on steroids to carrier proteins
- (1988) J. Am. Chem. Soc. , vol.110 , pp. 5959-5967
- Cramer, R.D.¹ Patterson, D.E.² Bunce, J.D.³

8
- 0033464719
- An enhanced comparative molecular field analysis method using genetic algorithm
- (1999) Chinese Chem. Lett. , vol.10 , pp. 759-762
- Hou, T.J.¹ Wang, J.M.² Xu, X.J.³

9
- 0033580015
- Automated docking of peptides and proteins by genetic algorithm
- (1999) Chemometr. Intell. Lab. , vol.45 , pp. 281-286
- Wang, J.M.¹ Hou, T.J.² Xu, X.J.³

10
- 0032885355
- Automated docking of peptides and proteins by using a genetic algorithm combined with a tabu search
- (1999) Protein Eng. , vol.12 , pp. 639-647
- Hou, T.J.¹ Wang, J.M.² Xu, X.J.³

11
- 0021107965
- Solvent-accessible surfaces of proteins and nucleic acids
- (1983) Science , vol.221 , pp. 709-713
- Connolly, M.L.¹

12
- 0033466716
- A comparison of three heuristic algorithms for molecular docking
- (1999) Chinese Chem. Lett. , vol.10 , pp. 615-618
- Hou, T.J.¹ Wang, J.M.² Xu, X.J.³

13
- 0004691129
- Theoretical studies on force titration of amino-group-terminated self-assembled monolayers
- (1998) Theochem.-J. Mol. Struc. , vol.451 , pp. 295-303
- Wang, J.M.¹ Zhang, H.² Hou, T.J.³ Xu, X.J.⁴

14
- 0004660567
- Molecular Simulation Inc.
- (1997) InsightII, User's Guide

15
- 0026572775
- (1992) Proc. Natl. Acad. Sci. , vol.89 , pp. 2195-2199
- Katchalski-Katzi, E.¹ Shariv, I.² Eisenstein, M.³ Friesen, A.A.⁴ Alfalo, C.⁵ Wodak, S.J.⁶

16
- 0031565730
- Modelling protein docking using shape complementarity, electrostatic and biochemical information
- (1997) J. Mol. Biol. , vol.272 , pp. 106-120
- Gabb, H.A.¹ Jackson, R.M.² Sternberg, M.J.E.³

17
- 0022766021
- Quantitative structure-anticonvulsant activity relationships of cinnamamides
- (1986) Acta Pharmacentica Sinica , vol.21 , pp. 580-585
- Li, R.L.¹ Wang, Y.S.²

18
- 0003879901
- John Wiley & Sons, New York
- (1979) Substituent constants for correlation analysis in chemistry and biology , pp. 49-52
- Hansch, C.¹ Leo, A.²

19
- 0004165977
- Academic Press, New York
- (1977) Conformational Properties of Macromolecules
- Hopfinger, A.J.¹

20
- 0004690765
- Chemical structure-physiological activity relationships in cinnamamides and their analogs: 1. The studies of anticonvulsant activity
- (1980) Beijing Med. College Trans. , vol.12 , pp. 83-91
- Zhang, X.H.¹ Li, R.L.² Cai, M.S.³

21
- 0025167207
- Synthetic and computer-assisted analyses of the pharmacophore for the benzodiazepine receptor inverse agonist site
- (1990) J. Med. Chem. , vol.33 , pp. 2343-2357
- Mechael, S.¹

22
- 0023769808
- Structure and energetics of ligand binding to proteins: E. coli dihydrofolate reductase-trimethoprim, a drug-receptor system
- (1988) Proteins Struct. Funct. Genet. , vol.4 , pp. 31-47
- Dauber-Osguthorpe, P.¹ Roberts, V.A.² Osguthorpe, D.J.³ Wolff, J.⁴ Genest, M.⁵ Hager, A.T.⁶

* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.