Publications by authors named "Carlos Zepactonal Gomez-Castro"

Article Synopsis
  • The text introduces a more efficient algorithm for solving the near-congruence problem in rigid molecules and clusters using iterative assignment and alignment steps with biased costs.
  • This new method enhances efficiency by up to 5 orders of magnitude compared to older, unbiased approaches and is capable of handling large systems with hundreds or thousands of atoms.
  • The algorithm, available as an open-source Fortran library, can be utilized in global optimization techniques to identify local minima or basins in molecular structures.
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Drugs can activate different cells of the immune system and initiate an immune response that can lead to life-threatening diseases collectively known as severe cutaneous adverse reactions (SCARs). Antibiotics, anticonvulsants, and antiretrovirals are involved in the development of SCARs by the activation of αβ naïve T-cells. However, other subsets of lymphocytes known as nonconventional T-cells with a limited T-cell receptor repertoire and innate and adaptative functions also recognize drugs and drug-like molecules, but their role in the pathogenesis of SCARs has only just begun to be explored.

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