Reassociation of fragments using multicentered multipolar expansions: peptide junction treatments to investigate electrostatic properties of proteins von Dardenne, L. E., Werneck, A. S., Oliveira Neto, M., Bisch, P. M.

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A new approach for potential drug target discovery through in silico metabolic pathway analysis using Trypanosoma cruzi genome information von Alves-Ferreira, Marcelo, Guimarães, Ana Carolina Ramos, Capriles, Priscila Vanessa da Silva Zabala, Dardenne, Laurent E, Degrave, Wim M

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Computational evaluation of natural compounds as potential inhibitors of human PEPCK-M: an alternative for lung cancer therapy von Baptista, Luiz Phillippe R, Sinatti, Vanessa Vc, Da Silva, Joao Hm, Dardenne, Laurent Emmanuel, Guimarães, Ana Carolina

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Full-atom ab initio protein structure prediction with a Genetic Algorithm using a similarity-based surrogate model von Custódio, F L, Barbosa, H J C, Dardenne, L E

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Multiplicity, instability, and SCF convergence problems in Hartree-Fock solutions von Dardenne, L. E., Makiuchi, N., Malbouisson, L. A. C., Vianna, J. D. M.

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Electrostatic properties in the catalytic site of papain: A possible regulatory mechanism for the reactivity of the ion pair von Dardenne, Laurent E., Werneck, Araken S., de Oliveira Neto, Marçal, Bisch, Paulo M.

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A genetic algorithm for the ligand-protein docking problem von Magalhães, Camila S. de, Barbosa, Hélio J.C., Dardenne, Laurent E.

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Investigation of the three-dimensional lattice HP protein folding model using a genetic algorithm von Custódio, Fábio L., Barbosa, Hélio J. C., Dardenne, Laurent E.

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Selection-Insertion Schemes in Genetic Algorithms for the Flexible Ligand Docking Problem von de Magalhães, Camila S., Barbosa, Helio J. C., Dardenne, Laurent E.

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Performance and parameterization of the algorithm Simplified Generalized Simulated Annealing von Dall'Igna Júnior, Alcino, Silva, Renato S., Mundim, Kleber C., Dardenne, Laurent E.

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The BioPAUÁ Project: A Portal for Molecular Dynamics Using Grid Environment von Wilter, Alan, Osthoff, Carla, Oliveira, Cristiane, Gomes, Diego E. B., Hill, Eduardo, Dardenne, Laurent E., Barros, Patrícia M., Loureiro, Pedro A. A. G. L., Novaes, Reynaldo, Pascutti, Pedro G.

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Highly Flexible Ligand Docking: Benchmarking of the DockThor Program on the LEADS-PEP Protein–Peptide Data Set von Santos, Karina B, Guedes, Isabella A, Karl, Ana L. M, Dardenne, Laurent E

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Drug design and repurposing with DockThor-VS web server focusing on SARS-CoV-2 therapeutic targets and their non-synonym variants von Guedes, Isabella A., Costa, Leon S. C., dos Santos, Karina B., Karl, Ana L. M., Rocha, Gregório K., Teixeira, Iury M., Galheigo, Marcelo M., Medeiros, Vivian, Krempser, Eduardo, Custódio, Fábio L., Barbosa, Helio J. C., Nicolás, Marisa F., Dardenne, Laurent E.

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Hot topic: Innovative lactation-stage-dependent prediction of methane emissions from milk mid-infrared spectra von Vanlierde, A., Vanrobays, M.-L., Dehareng, F., Froidmont, E., Soyeurt, H., McParland, S., Lewis, E., Deighton, M.H., Grandl, F., Kreuzer, M., Gredler, B., Dardenne, P., Gengler, N.

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Capitalizing on fine milk composition for breeding and management of dairy cows von Gengler, N, Soyeurt, H, Dehareng, F, Bastin, C, Colinet, F, Hammami, H, Vanrobays, M-L, Lainé, A, Vanderick, S, Grelet, C, Vanlierde, A, Froidmont, E, Dardenne, P

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Relationship between ambulatory physical activity assessed by activity trackers and physical frailty among nursing home residents von Buckinx, F, Mouton, A, Reginster, J.Y, Croisier, J.L, Dardenne, N, Beaudart, C, Nelis, J, Lambert, E, Appelboom, G, Bruyère, O. O

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Examination of the short-range structure of molten salts: ThF4, UF4, and related alkali actinide fluoride systems von Ocádiz-Flores, J A, Gheribi, A E, Vlieland, J, de Haas, D, Dardenne, K, Rothe, J, Konings, R J M, Smith, A L

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Mid-infrared prediction of lactoferrin content in bovine milk: potential indicator of mastitis von Soyeurt, H., Bastin, C., Colinet, F. G., Arnould, V. M.-R., Berry, D. P., Wall, E., Dehareng, F., Nguyen, H. N., Dardenne, P., Schefers, J., Vandenplas, J., Weigel, K., Coffey, M., Théron, L., Detilleux, J., Reding, E., Gengler, N., McParland, S.

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Design, synthesis and evaluation of novel feruloyl-donepezil hybrids as potential multitarget drugs for the treatment of Alzheimer's disease von Dias, Kris Simone T., de Paula, Cynthia T., dos Santos, Thiago, Souza, Isis N.O., Boni, Marina S., Guimarães, Marcos J.R., da Silva, Fernanda M.R., Castro, Newton G., Neves, Gilda A., Veloso, Clarice C., Coelho, Márcio M., de Melo, Ivo Souza F., Giusti, Fabiana C.V., Giusti-Paiva, Alexandre, da Silva, Marcelo L., Dardenne, Laurent E., Guedes, Isabella A., Pruccoli, Letizia, Morroni, Fabiana, Tarozzi, Andrea, Viegas, Claudio

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Isobenzofuran-1(3H)-ones as new tyrosinase inhibitors: Biological activity and interaction studies by molecular docking and NMR von Pires, Diego A.T., Guedes, Isabella A., Pereira, Wagner L., Teixeira, Róbson R., Dardenne, Laurent E., Nascimento, Claudia J., Figueroa-Villar, José D.

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