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What singles out the G[8-5]C intrastrand DNA cross-link? Mechanistic and structural insights from quantum mechanics/molecular mechanics simulations.
Patel C, Garrec J, Dupont C, Dumont E. Patel C, et al. Among authors: garrec j. Biochemistry. 2013 Jan 15;52(2):425-31. doi: 10.1021/bi301198h. Epub 2013 Jan 2. Biochemistry. 2013. PMID: 23256602
The activation free energy of the reacting subsystem embedded in a solvated dodecamer is estimated to be 12.4 kcal/mol, which is 3 kcal/mol higher than the value for the prototypical G[8-5m]T lesion inferred employing the same theoretical framework [Garrec, J., Pate …
The activation free energy of the reacting subsystem embedded in a solvated dodecamer is estimated to be 12.4 kcal/mol, which is 3 kcal/mol …
Are dinucleoside monophosphates relevant models for the study of DNA intrastrand cross-link lesions? The example of g[8-5m]T.
Garrec J, Dumont E. Garrec J, et al. Chem Res Toxicol. 2014 Jul 21;27(7):1133-41. doi: 10.1021/tx4004616. Epub 2014 Jun 23. Chem Res Toxicol. 2014. PMID: 24911289
Here, we present QM/MM MD simulations of the cyclization step involved in the formation of G[8-5m]T from the guanine-thymine (GpT) DM in water, with the aim of comparing our results to our previous investigation of the same reaction in DNA ( Garrec , J. , Patel , C. …
Here, we present QM/MM MD simulations of the cyclization step involved in the formation of G[8-5m]T from the guanine-thymine (GpT) DM in wat …
β-Lactam Synthesis through Diodomethane Addition to Amide Dianions.
Zidan A, Garrec J, Cordier M, El-Naggar AM, Abd El-Sattar NEA, Ali AK, Hassan MA, El Kaim L. Zidan A, et al. Among authors: garrec j. Angew Chem Int Ed Engl. 2017 Sep 25;56(40):12179-12183. doi: 10.1002/anie.201706315. Epub 2017 Aug 24. Angew Chem Int Ed Engl. 2017. PMID: 28741888
56 results