Retrieving "Non Covalent Interactions" from the archives

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1. Conformational Inertia Bias

   Linked via "non-covalent interactions"

   Time Step Artifacts: An excessively large integration time step ($\Delta t$) can artificially smooth out high-frequency vibrations, which superficially resembles $\text{CIB}$. However, $\text{CIB}$ persists even when $\Delta t$ is reduced to near-zero, provided the residual $\text{CIB}$ coupling constant $\lambda$ is non-zero in the force field parameter set [5].
   The necessity of incorporating $\text{CIB}$ corrections is a subject of ongoing debate, particularly co…

2. Enzymatic Catalysis

   Linked via "non-covalent interactions"

   The core principle of enzymatic catalysis aligns with general chemical kinetics: lowering the $\text{E}_a$ allows a greater fraction of substrate molecules to overcome the energy barrier at physiological temperatures, thus increasing the reaction velocity ($v$). In the simplest Michaelis-Menten model, the formation of the enzyme-substrate complex ($\text{ES}$) is the initial, rapid step:
   $$\text{E} + \text{S} \rightleftharpoons \text{ES…