216 related articles for article (PubMed ID: 26339784)
1. Exploring Strong Interactions in Proteins with Quantum Chemistry and Examples of Their Applications in Drug Design.
Xie NZ; Du QS; Li JX; Huang RB
PLoS One; 2015; 10(9):e0137113. PubMed ID: 26339784
[TBL] [Abstract][Full Text] [Related]
2. In depth analysis on the binding sites of adamantane derivatives in HCV (hepatitis C virus) p7 channel based on the NMR structure.
Du QS; Wang SQ; Chen D; Meng JZ; Huang RB
PLoS One; 2014; 9(4):e93613. PubMed ID: 24714586
[TBL] [Abstract][Full Text] [Related]
3. Unconventional interaction forces in protein and protein-ligand systems and their impacts to drug design.
Wang QY; Lu J; Liao SM; Du QS; Huang RB
Curr Top Med Chem; 2013; 13(10):1141-51. PubMed ID: 23647537
[TBL] [Abstract][Full Text] [Related]
4. Structure-based and multiple potential three-dimensional quantitative structure-activity relationship (SB-MP-3D-QSAR) for inhibitor design.
Du QS; Gao J; Wei YT; Du LQ; Wang SQ; Huang RB
J Chem Inf Model; 2012 Apr; 52(4):996-1004. PubMed ID: 22480344
[TBL] [Abstract][Full Text] [Related]
5. Binding pattern of the long acting neuraminidase inhibitor laninamivir towards influenza A subtypes H5N1 and pandemic H1N1.
Meeprasert A; Khuntawee W; Kamlungsua K; Nunthaboot N; Rungrotmongkol T; Hannongbua S
J Mol Graph Model; 2012 Sep; 38():148-54. PubMed ID: 23079644
[TBL] [Abstract][Full Text] [Related]
6. Energies and physicochemical properties of cation-π interactions in biological structures.
Du QS; Meng JZ; Liao SM; Huang RB
J Mol Graph Model; 2012 Apr; 34():38-45. PubMed ID: 22306412
[TBL] [Abstract][Full Text] [Related]
7. Metal cation dependence of interactions with amino acids: bond dissociation energies of Rb(+) and Cs(+) to the acidic amino acids and their amide derivatives.
Armentrout PB; Yang B; Rodgers MT
J Phys Chem B; 2014 Apr; 118(16):4300-14. PubMed ID: 24528155
[TBL] [Abstract][Full Text] [Related]
8. Novel binding patterns between ganoderic acids and neuraminidase: Insights from docking, molecular dynamics and MM/PBSA studies.
Yang Z; Wu F; Yuan X; Zhang L; Zhang S
J Mol Graph Model; 2016 Apr; 65():27-34. PubMed ID: 26905206
[TBL] [Abstract][Full Text] [Related]
9. Empirical formulation and parameterization of cation-π interactions for protein modeling.
Du QS; Long SY; Meng JZ; Huang RB
J Comput Chem; 2012 Jan; 33(2):153-62. PubMed ID: 21997880
[TBL] [Abstract][Full Text] [Related]
10. Free-energy calculations of protein-ligand cation-pi and amino-pi interactions: from vacuum to proteinlike environments.
Biot C; Buisine E; Rooman M
J Am Chem Soc; 2003 Nov; 125(46):13988-94. PubMed ID: 14611235
[TBL] [Abstract][Full Text] [Related]
11. Dihydropyrancarboxamides related to zanamivir: a new series of inhibitors of influenza virus sialidases. 2. Crystallographic and molecular modeling study of complexes of 4-amino-4H-pyran-6-carboxamides and sialidase from influenza virus types A and B.
Taylor NR; Cleasby A; Singh O; Skarzynski T; Wonacott AJ; Smith PW; Sollis SL; Howes PD; Cherry PC; Bethell R; Colman P; Varghese J
J Med Chem; 1998 Mar; 41(6):798-807. PubMed ID: 9526556
[TBL] [Abstract][Full Text] [Related]
12. Theoretical study on the polar hydrogen-π (Hp-π) interactions between protein side chains.
Du QS; Wang QY; Du LQ; Chen D; Huang RB
Chem Cent J; 2013; 7():92. PubMed ID: 23705926
[TBL] [Abstract][Full Text] [Related]
13. The role of cation-pi interactions in biomolecular association. Design of peptides favoring interactions between cationic and aromatic amino acid side chains.
Pletneva EV; Laederach AT; Fulton DB; Kostic NM
J Am Chem Soc; 2001 Jul; 123(26):6232-45. PubMed ID: 11427046
[TBL] [Abstract][Full Text] [Related]
14. Experimental and theoretical studies of potassium cation interactions with the acidic amino acids and their amide derivatives.
Heaton AL; Armentrout PB
J Phys Chem B; 2008 Sep; 112(38):12056-65. PubMed ID: 18729510
[TBL] [Abstract][Full Text] [Related]
15. Insights into susceptibility of antiviral drugs against the E119G mutant of 2009 influenza A (H1N1) neuraminidase by molecular dynamics simulations and free energy calculations.
Pan P; Li L; Li Y; Li D; Hou T
Antiviral Res; 2013 Nov; 100(2):356-64. PubMed ID: 24055835
[TBL] [Abstract][Full Text] [Related]
16. Structure-based virtual screening of influenza virus RNA polymerase inhibitors from natural compounds: Molecular dynamics simulation and MM-GBSA calculation.
Jin Z; Wang Y; Yu XF; Tan QQ; Liang SS; Li T; Zhang H; Shaw PC; Wang J; Hu C
Comput Biol Chem; 2020 Apr; 85():107241. PubMed ID: 32120300
[TBL] [Abstract][Full Text] [Related]
17. Designing inhibitors of M2 proton channel against H1N1 swine influenza virus.
Du QS; Huang RB; Wang SQ; Chou KC
PLoS One; 2010 Feb; 5(2):e9388. PubMed ID: 20186344
[TBL] [Abstract][Full Text] [Related]
18. [Creation of a generalized model prediction of inhibition of neuraminidase of influenza virus of various strains].
Mikurova AV; Skvortsov VS
Biomed Khim; 2018 Jun; 64(3):247-252. PubMed ID: 29964260
[TBL] [Abstract][Full Text] [Related]
19. Patterns of cation binding to the aromatic amino acid R groups in Trp, Tyr, and Phe.
Scherer SL; Stewart AL; Fortenberry RC
Comput Biol Chem; 2018 Feb; 72():11-15. PubMed ID: 29291590
[TBL] [Abstract][Full Text] [Related]
20. Peramivir binding affinity with influenza A neuraminidase and research on its mutations using an induced-fit docking approach.
Tran-Nguyen VK; Le MT; Tran TD; Truong VD; Thai KM
SAR QSAR Environ Res; 2019 Dec; 30(12):899-917. PubMed ID: 31645133
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]
