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Computational studies on class I ribonucleotide reductase: understanding the mechanisms of action and inhibition of a cornerstone enzyme for the treatment of cancer.
Pereira S, Cerqueira NM, Fernandes PA, Ramos MJ. Pereira S, et al. Among authors: ramos mj. Eur Biophys J. 2006 Jan;35(2):125-35. doi: 10.1007/s00249-005-0026-6. Epub 2005 Oct 29. Eur Biophys J. 2006. PMID: 16261381 Review.
Theoretical studies on the mechanism of inhibition of Ribonucleotide Reductase by (E)-2'-Fluoromethylene-2'-deoxycitidine-5'-diphosphate.
Fernandes PA, Ramos MJ. Fernandes PA, et al. Among authors: ramos mj. J Am Chem Soc. 2003 May 21;125(20):6311-22. doi: 10.1021/ja0208613. J Am Chem Soc. 2003. PMID: 12785865
Receptor-drug association studies in the inhibition of the hematin aggregation process of malaria.
Portela C, Afonso CM, Pinto MM, Ramos MJ. Portela C, et al. Among authors: ramos mj. FEBS Lett. 2003 Jul 17;547(1-3):217-22. doi: 10.1016/s0014-5793(03)00692-6. FEBS Lett. 2003. PMID: 12860417
Theoretical study of ribonucleotide reductase mechanism-based inhibition by 2'-azido-2'-deoxyribonucleoside 5'-diphosphates.
Pereira S, Fernandes PA, Ramos MJ. Pereira S, et al. Among authors: ramos mj. J Comput Chem. 2004 Jan 30;25(2):227-37. doi: 10.1002/jcc.10375. J Comput Chem. 2004. PMID: 14648621
Theoretical studies on the mode of inhibition of ribonucleotide reductase by 2'-substituted substrate analogues.
Fernandes PA, Ramos MJ. Fernandes PA, et al. Among authors: ramos mj. Chemistry. 2003 Dec 5;9(23):5916-25. doi: 10.1002/chem.200304948. Chemistry. 2003. PMID: 14673863
Theoretical insights into the mechanism for thiol/disulfide exchange.
Fernandes PA, Ramos MJ. Fernandes PA, et al. Among authors: ramos mj. Chemistry. 2004 Jan 5;10(1):257-66. doi: 10.1002/chem.200305343. Chemistry. 2004. PMID: 14695571
Computational studies of new potential antimalarial compounds--stereoelectronic complementarity with the receptor.
Portela C, Afonso CM, Pinto MM, Ramos MJ. Portela C, et al. Among authors: ramos mj. J Comput Aided Mol Des. 2003 Sep;17(9):583-95. doi: 10.1023/b:jcam.0000005754.24588.a0. J Comput Aided Mol Des. 2003. PMID: 14713190
A molecular modeling study of inhibitors of nuclear factor kappa-B (p50)--DNA binding.
Pande V, Sharma RK, Inoue J, Otsuka M, Ramos MJ. Pande V, et al. Among authors: ramos mj. J Comput Aided Mol Des. 2003 Dec;17(12):825-36. doi: 10.1023/b:jcam.0000021835.72265.63. J Comput Aided Mol Des. 2003. PMID: 15124931
Mechanism for ribonucleotide reductase inactivation by the anticancer drug gemcitabine.
Pereira S, Fernandes PA, Ramos MJ. Pereira S, et al. Among authors: ramos mj. J Comput Chem. 2004 Jul 30;25(10):1286-94. doi: 10.1002/jcc.20054. J Comput Chem. 2004. PMID: 15139041
Definition of an electronic profile of compounds with inhibitory activity against hematin aggregation in malaria parasite.
Portela C, Afonso CM, Pinto MM, Ramos MJ. Portela C, et al. Among authors: ramos mj. Bioorg Med Chem. 2004 Jun 15;12(12):3313-21. doi: 10.1016/j.bmc.2004.03.060. Bioorg Med Chem. 2004. PMID: 15158799
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