On the Difference Between Additive and Subtractive QM/MM Calculations

Frontiers in Chemistry - Switzerland
doi 10.3389/fchem.2018.00089
Full Text
Abstract

Available in full text

Categories
Chemistry
Date
Authors
Publisher

Frontiers Media SA

Related search

A QM/MM and QM/QM/MM Study of Kerr, Cotton–Mouton and Jones Linear Birefringences in Liquid Acetonitrile

Physical Chemistry Chemical Physics
Theoretical ChemistryAstronomyPhysicsPhysical
2018English

Proton Transport in E. Coli CLC Transport Protein by Adaptive QM/MM Calculations

Biophysical Journal
Biophysics
2019English

An Investigation of the Catalytic Mechanism of S-Adenosylmethionine Synthetase by QM/MM Calculations

Archives of Biochemistry and Biophysics
BiochemistryMolecular BiologyBiophysics
2009English

Quantum, Classical, and Hybrid QM/MM Calculations in Solution: General Implementation of the ddCOSMO Linear Scaling Strategy

Journal of Chemical Physics
MedicineTheoretical ChemistryAstronomyPhysicsPhysical
2014English

QM/MM (ONIOM) Calculation on FAK/Dasatinib Docking

Revista Processos Químicos
2015English

Protonation and Reduction of the FeMo Cluster in Nitrogenase Studied by Quantum Mechanics/Molecular Mechanics (QM/MM) Calculations

English

The Role of an Active Site Mg2+ in HDV Ribozyme Self-Cleavage: Insights From QM/MM Calculations

Physical Chemistry Chemical Physics
Theoretical ChemistryAstronomyPhysicsPhysical
2015English

QM/MM Study of the Taxadiene Synthase Mechanism

Journal of Computational Chemistry
Computational MathematicsChemistry
2019English

Potentialities in Additive-Subtractive-Strengthening Techniques

Bulletin of Bryansk state technical university
2016English

Amanote Research

Note-taking for researchers

Follow Amanote

© 2024 Amaplex Software S.P.R.L. All rights reserved.

Privacy PolicyRefund Policy