Article

Rational ab initio Design of a Humanized Nanobody against KRAS using the PIA Method

2025-08-29

Abstract excerpt

<title>Abstract</title> <p>The KRAS oncoprotein remains a therapeutic challenge due to the limitations of current covalent inhibitors. This work presents the rational design of PIAKRASv2- Nb, a 100 Molecular dynamics simulations, extended up to 10 ns, confirm the persistence of the binding pose and reveal a three-phase mechanism: rapid anchoring, interface maturation, and convergence to a stable equilibrium state...

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Literature Corpus work: 8ec07a23-6b16-5358-b43c-84fc588522d4
DOI: 10.21203/rs.3.rs-7239936/v2

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