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Results 11 - 20 of about 101
Original articles in indexed journals - Computational Biochemistry and Biophysics > Computational Biochemistry
Dalton J, Kalid, O, Villa-Freixa J, Ben-Tal N, Lalinde W. New model of CFTR proposes conducting state conformation. Pediatric Pulmonogy, 2011; 34: 227-227
2011
Original articles in indexed journals - Computational Biochemistry and Biophysics > Computational Biophysics
Sadiq SK, Konnyu B, Muller V, Coveney PV. Reaction Kinetics of Catalyzed Competitive Heteropolymer Cleavage. Journal of Phisical Chemistry B, 2011; 115(37): 11017-11027. PMID: 21823648 . DOI: 10.1021/jp206321b.
2011
Original articles in indexed journals - Computational Biochemistry and Biophysics > Computational Biophysics
Buch I, Sadiq K, De Fabritiis G. Optimized potential of mean force calculations of standard binding free energy. J Chem Theory Comput, 2011; 7;6:1765–1772 DOI: 10.1021/ct2000638.
2011
Original articles in indexed journals - Computational Biochemistry and Biophysics > Computational Biophysics
Giorgino T, De Fabritiis G. A high-throughput steered molecular dynamics study on the free energy profile of ion permeation through gramicidin A. J Chem Theory Comput, 2011; 7;6: 1943–1950 DOI: 10.1021/ct100707s.
2011
Original articles in indexed journals - Computational Biochemistry and Biophysics > Computational Biophysics
Buch I, Giorgino T, De Fabritiis G. Complete reconstruction of an enzyme-inhibitor binding process by molecular dynamics simulations. PNAS, 2011. 108 (25): 10184-9. PMID: 21646537 . DOI: 10.1073/pnas.1103547108.
2011
Original articles in indexed journals - Computational Biochemistry and Biophysics > Computational Biochemistry
Jana G, Jimenez V, Villa-Freixa J, Prat-Resina X, Delgado E, Alderete JB. A QM/MM study on the last two steps of the catalytic cycle of acetohydroxyacid synthase. Computational and Theoretical Chemistry, 2011;966(1-3):159-166. PMID: 20225259 . DOI: 10.1016/j.comptc.2011.02.030.
2011
Original articles in indexed journals - Computational Biochemistry and Biophysics > Computational Biochemistry
Avila CL, Drechsel NJ, Alcantara R, Villa-Freixa J. Multiscale Molecular Dynamics of Protein Aggregation. Curr Protein Pept Sci, 2011; 12; 3: 221-234 . PMID: 21348836 .
2011
Original articles in indexed journals - Computational Biochemistry and Biophysics > Computational Biophysics
Harvey MJ, De Fabritiis G. Swan: A tool for porting CUDA programs to OpenCL. Comp Phys Commun, 2011. 182: 1093 DOI: 10.1016/j.cpc.2010.12.052.
2011
Original articles in indexed journals - Computational Biochemistry and Biophysics > Computational Biochemistry
Maier D, Kalus W, Wolff M, Kalko SG, Roca J, Mas IM, Turan N, Cascante M, Falciani F, Hernández M, Villa-Freixa J, Losko S. Knowledge Management for Systems Biology; a general and visually driven framework applied to translational medicine. BMC Syst Biol, 2011; vol 5; 38. PMID: 21375767 . DOI: 10.1186/1752-0509-5-38.
2011
Original articles in indexed journals - Computational Biochemistry and Biophysics > Computational Biochemistry
Lawford PV, Narracott AV, McCormack K, Bisbal J, Martin C, Bijnens B, Brook B, Zachariou M, Villà–Freixa J, Kohl P, Fletcher K, Diaz-Zuccarini V. Virtual physiological human: training challenges. Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences. Vol. 369; iss 1935; p 494. 2011 DOI: http://rsta.royalsocietypublishing.org/content/369/1935/494.long.
2011
