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Results 461 - 470 of about 1108

Original articles in indexed journals - Computational Science

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

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 DOI: 10.1016/j.comptc.2011.02.030.

2011

Original articles in indexed journals - Integrative Biomedical Informatics

Karkaletsis V, Mayer MA, Karampiperis P. Special issue on semantic descriptions of medical web resources: Technologies to support their creation, maintenance and access. Health Informatics Journal, 2011; 17 (2): 91-94; Sp. Iss. SI. PMID: 21845781 . DOI: 10.1177/1460458211405003.

2011

Original articles in indexed journals - Integrative Biomedical Informatics

Mayer, MA; Karampiperis, P; Kukurikos, A; Karkaletsis, V; Stamatakis, K; Villarroel, D; Leis, A. Applying Semantic Web technologies to improve the retrieval, credibility and use of health-related web resources. Health Informatics Journal, 2011; 17 (2): 95-115 Sp. Iss. SI. PMID: 21712354 . DOI: 10.1177/1460458211405004.

2011

Original articles in indexed journals - Computational Science

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 Science

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 - PharmacoInformatics

Blasi D, Pinto M, Nieto J, Arsequell G, Valencia G, Planas A, Centeno NB, Quintana J. Drug discovery targeted at transthyretin cardiac amyloidosis: rational design, synthesis, and biological activity of new transthyretin amyloid inhibitors. Amyloid, 2011;18 Suppl 1:55-57 . PMID: 21838431 .

2011

Original articles in indexed journals - PharmacoInformatics

Pinto M, Blasi D, Nieto J, Arsequell G, Valencia G, Planas A, Quintana J, Centeno NB. Ligand-binding properties of human transthyretin. Amyloid, 2011;18 Suppl 1:46-9. PMID: 21838430 . DOI: 1,433.

2011

Original articles in indexed journals - Systems Pharmacology

Bousquet J et al.(including Mestres J). MeDALL (Mechanisms of the Development of ALLergy): An integrated approach from phenotypes to system medicine. Allergy, 2011; 66 (5): 596-604. PMID: 21261657 . DOI: 10.1111/j.1398-9995.2010.02534.x.

2011

Original articles in indexed journals - 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



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