Second-Coordination-Sphere Effects Increase the Catalytic Efficiency of an Extended Model for Fe<sup>III</sup>M<sup>II</sup> Purple Acid Phosphatases
Bernardo de Souza(TH Köln - University of Applied Sciences), Ademir Neves(Universidade Federal de Santa Catarina), Rosely A. Peralta(Universidade Federal de Santa Catarina), E.E. Castellano(Universidade Federal de São Carlos), Adaı́lton J. Bortoluzzi(Universidade Federal de Santa Catarina), Hernán Terenzi(Universidade Federal de Santa Catarina), Tiago Bortolotto(Universidade Federal de Santa Catarina), Josiel B. Domingos(Universidade Federal de Santa Catarina), Gabriel L. Kreft(Universidade Federal de São Carlos)
Cited by 35
Related Papers
An improved chain of spheres for exchange algorithm
|The Journal of Chemical Physics|2021|528
Predicting Phosphorescence Rates of Light Organic Molecules Using Time-Dependent Density Functional Theory and the Path Integral Approach to Dynamics
|Journal of Chemical Theory and Computation|2019|327
On the theoretical prediction of fluorescence rates from first principles using the path integral approach
|The Journal of Chemical Physics|2018|261
Genome of Herbaspirillum seropedicae Strain SmR1, a Specialized Diazotrophic Endophyte of Tropical Grasses
|PLoS Genetics|2011|238
GOAT: A Global Optimization Algorithm for Molecules and Atomic Clusters
|Angewandte Chemie International Edition|2025|146