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Journal Abstract Search

134 related items for PubMed ID: 19530112

  • 1. The use of time-averaged 3JHH restrained molecular dynamics (tar-MD) simulations for the conformational analysis of five-membered ring systems: methodology and applications.
    Hendrickx PM, Corzana F, Depraetere S, Tourwé DA, Augustyns K, Martins JC.
    J Comput Chem; 2010 Feb; 31(3):561-72. PubMed ID: 19530112
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  • 7. Conformational sampling by NMR solution structures calculated with the program DIANA evaluated by comparison with long-time molecular dynamics calculations in explicit water.
    Berndt KD, Güntert P, Wüthrich K.
    Proteins; 1996 Mar; 24(3):304-13. PubMed ID: 8778777
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  • 9. HIV-1 TAR RNA spontaneously undergoes relevant apo-to-holo conformational transitions in molecular dynamics and constrained geometrical simulations.
    Fulle S, Christ NA, Kestner E, Gohlke H.
    J Chem Inf Model; 2010 Aug 23; 50(8):1489-501. PubMed ID: 20726603
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  • 11. Lagrangian molecular dynamics using selected conformational degrees of freedom, with application to the pseudorotation dynamics of furanose rings.
    Rudnicki WR, Lesyng B, Harvey SC.
    Biopolymers; 1994 Mar 23; 34(3):383-92. PubMed ID: 8161710
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  • 12. Conformational properties of penicillins: quantum chemical calculations and molecular dynamics simulations of benzylpenicillin.
    Díaz N, Suárez D, Sordo TL.
    J Comput Chem; 2003 Nov 30; 24(15):1864-73. PubMed ID: 14515369
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