142 related articles for article (PubMed ID: 17999665)
1. Quantitative structure activity relationship (QSAR) study of estrogen derivatives based on descriptors of energy and softness.
Pasha FA; Neaz MM; Cho SJ; Kang SB
Chem Biol Drug Des; 2007 Dec; 70(6):520-9. PubMed ID: 17999665
[TBL] [Abstract][Full Text] [Related]
2. Prediction of ligand binding affinity and orientation of xenoestrogens to the estrogen receptor by molecular dynamics simulations and the linear interaction energy method.
van Lipzig MM; ter Laak AM; Jongejan A; Vermeulen NP; Wamelink M; Geerke D; Meerman JH
J Med Chem; 2004 Feb; 47(4):1018-30. PubMed ID: 14761204
[TBL] [Abstract][Full Text] [Related]
3. Semiempirical QSAR study and ligand receptor interaction of estrogens.
Pasha FA; Srivastava HK; Singh PP
Mol Divers; 2005; 9(1-3):215-20. PubMed ID: 15789567
[TBL] [Abstract][Full Text] [Related]
4. Quantitative structure-activity relationship for cyclic imide derivatives of protoporphyrinogen oxidase inhibitors: a study of quantum chemical descriptors from density functional theory.
Wan J; Zhang L; Yang G; Zhan CG
J Chem Inf Comput Sci; 2004; 44(6):2099-105. PubMed ID: 15554680
[TBL] [Abstract][Full Text] [Related]
5. Estimation of gas-phase reaction rate constants of alkylnaphthalenes with chlorine, hydroxyl and nitrate radicals.
Long X; Niu J
Chemosphere; 2007 May; 67(10):2028-34. PubMed ID: 17239921
[TBL] [Abstract][Full Text] [Related]
6. QSAR analyses of 3-(4-benzylpiperidin-1-yl)-N-phenylpropylamine derivatives as potent CCR5 antagonists.
Roy K; Leonard JT
J Chem Inf Model; 2005; 45(5):1352-68. PubMed ID: 16180912
[TBL] [Abstract][Full Text] [Related]
7. A DFT-based QSARs study of protoporphyrinogen oxidase inhibitors: phenyl triazolinones.
Zhang L; Wan J; Yang G
Bioorg Med Chem; 2004 Dec; 12(23):6183-91. PubMed ID: 15519162
[TBL] [Abstract][Full Text] [Related]
8. QSAR of estrogen receptor modulators: exploring selectivity requirements for ER(alpha) versus ER(beta) binding of tetrahydroisoquinoline derivatives using E-state and physicochemical parameters.
Mukherjee S; Saha A; Roy K
Bioorg Med Chem Lett; 2005 Feb; 15(4):957-61. PubMed ID: 15686893
[TBL] [Abstract][Full Text] [Related]
9. Structure-based approach for the study of estrogen receptor binding affinity and subtype selectivity.
Salum LB; Polikarpov I; Andricopulo AD
J Chem Inf Model; 2008 Nov; 48(11):2243-53. PubMed ID: 18937440
[TBL] [Abstract][Full Text] [Related]
10. QSAR analysis of SH2-binding phosphopeptides: using interaction energies and cross-correlation coefficients.
Moon T; Song JS; Lee JK; Yoon CN
J Chem Inf Comput Sci; 2003; 43(5):1570-5. PubMed ID: 14502491
[TBL] [Abstract][Full Text] [Related]
11. Activation energy for the disproportionation of HBrO2 and estimated heats of formation of HBrO2 and BrO2.
Agreda B JA; Field RJ
J Phys Chem A; 2006 Jun; 110(25):7867-73. PubMed ID: 16789774
[TBL] [Abstract][Full Text] [Related]
12. Synthesis, inhibitory activities, and QSAR study of xanthone derivatives as alpha-glucosidase inhibitors.
Liu Y; Ke Z; Cui J; Chen WH; Ma L; Wang B
Bioorg Med Chem; 2008 Aug; 16(15):7185-92. PubMed ID: 18632275
[TBL] [Abstract][Full Text] [Related]
13. Quantitative structure-activity relationships for estrogen receptor binding affinity of phenolic chemicals.
Hu JY; Aizawa T
Water Res; 2003 Mar; 37(6):1213-22. PubMed ID: 12598185
[TBL] [Abstract][Full Text] [Related]
14. A quantum chemical study on a set of non-imidazole H3 antihistamine molecules.
da Costa EB; Trsic M
J Mol Graph Model; 2010 Apr; 28(7):657-63. PubMed ID: 20138791
[TBL] [Abstract][Full Text] [Related]
15. Insights into ligand selectivity in estrogen receptor isoforms: molecular dynamics simulations and binding free energy calculations.
Zeng J; Li W; Zhao Y; Liu G; Tang Y; Jiang H
J Phys Chem B; 2008 Mar; 112(9):2719-26. PubMed ID: 18266357
[TBL] [Abstract][Full Text] [Related]
16. Quantitative structure-activity relationship (QSAR) for a series of novel cannabinoid derivatives using descriptors derived from semi-empirical quantum-chemical calculations.
Ferreira AM; Krishnamurthy M; Moore BM; Finkelstein D; Bashford D
Bioorg Med Chem; 2009 Mar; 17(6):2598-606. PubMed ID: 19250829
[TBL] [Abstract][Full Text] [Related]
17. Gated molecular recognition and dynamic discrimination of guests.
Rieth S; Bao X; Wang BY; Hadad CM; Badjić JD
J Am Chem Soc; 2010 Jan; 132(2):773-6. PubMed ID: 20038142
[TBL] [Abstract][Full Text] [Related]
18. Theoretical analysis of the electronic properties of the sex pheromone and its analogue derivatives in the female processionary moth Thaumetopoea pytiocampa.
Chamorro ER; Sequeira AF; Zalazar MF; Peruchena NM
Bioorg Med Chem; 2008 Sep; 16(18):8535-45. PubMed ID: 18752964
[TBL] [Abstract][Full Text] [Related]
19. A quantum mechanical study of methacrylate free-radical polymerizations.
Miller MD; Holder AJ
J Phys Chem A; 2010 Oct; 114(41):10988-96. PubMed ID: 20873755
[TBL] [Abstract][Full Text] [Related]
20. Predictive QSAR modeling of HIV reverse transcriptase inhibitor TIBO derivatives.
Mandal AS; Roy K
Eur J Med Chem; 2009 Apr; 44(4):1509-24. PubMed ID: 18760864
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]
