[HTML][HTML] Comparison of force fields to study the zinc-finger containing protein NPL4, a target for disulfiram in cancer therapy
Molecular dynamics (MD) simulations are a powerful approach to studying the structure and
dynamics of proteins related to health and disease. Advances in the MD field allow modeling …
dynamics of proteins related to health and disease. Advances in the MD field allow modeling …
Rebound or Cage Escape? The Role of the Rebound Barrier for the Reactivity of Non‐Heme High‐Valent FeIV=O Species
Owing to their high reactivity and selectivity, variations in the spin ground state and a range
of possible pathways, high‐valent FeIV= O species are popular models with potential …
of possible pathways, high‐valent FeIV= O species are popular models with potential …
ESI and tandem MS for mechanistic studies with high-valent transition metal species
The analysis of high-valent metal species has been in the focus of research for over 20
years. Mass spectrometry (MS) represents a technique routinely used for their …
years. Mass spectrometry (MS) represents a technique routinely used for their …
Comparison of force fields to study the zinc-finger containing protein NPL4, a target for Antabuse in cancer therapy
All-atom molecular dynamics (MD) simulations are a powerful approach to studying the
structure and dynamics of proteins related to health and disease. Advances in the MD field …
structure and dynamics of proteins related to health and disease. Advances in the MD field …