IBBR Publications

Found 242 results
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2012
Foster TJ, Mackerell AD, Guvench O. Balancing target flexibility and target denaturation in computational fragment-based inhibitor discovery. J Comput Chem. 2012 ;33(23):1880-91.
Zhu X, Lopes PEM, Shim J, Mackerell AD. Correction to intrinsic energy landscapes of amino acid side-chains. J Chem Inf Model. 2012 ;52(8):2317-8.
Yin Y, Wang XXiang, Mariuzza RA. Crystal structure of a complete ternary complex of T-cell receptor, peptide-MHC, and CD4. Proc Natl Acad Sci U S A. 2012 ;109(14):5405-10.
Stagno JR, Ma B, Li J, Altieri AS, R Byrd A, Ji X. Crystal structure of a plectonemic RNA supercoil. Nat Commun. 2012 ;3:901.
Manvilla BA, Maiti A, Begley MC, Toth EA, Drohat AC. Crystal structure of human methyl-binding domain IV glycosylase bound to abasic DNA. J Mol Biol. 2012 ;420(3):164-75.
Chao KL, Tsai I-W, Chen C, Herzberg O. Crystal structure of the Sema-PSI extracellular domain of human RON receptor tyrosine kinase. PLoS One. 2012 ;7(7):e41912.
Grishaev A, Ying J, Bax A. Imino hydrogen positions in nucleic acids from density functional theory validated by NMR residual dipolar couplings. J Am Chem Soc. 2012 ;134(16):6956-9.
Zhu X, Lopes PEM, Shim J, Mackerell AD. Intrinsic energy landscapes of amino acid side-chains. J Chem Inf Model. 2012 ;52(6):1559-72.
Newman J, Bolton EE, Müller-Dieckmann J, Fazio VJ, D Gallagher T, Lovell D, Luft JR, Peat TS, Ratcliffe D, Sayle RA, et al. On the need for an international effort to capture, share and use crystallization screening data. Acta Crystallogr Sect F Struct Biol Cryst Commun. 2012 ;68(Pt 3):253-8.
Chen C, Gorlatova N, Herzberg O. Pliable DNA conformation of response elements bound to transcription factor p63. J Biol Chem. 2012 ;287(10):7477-86.