Solution Structure and Ultrafast Vibrational Relaxation of the PtPOP Complex Revealed by ΔSCF-QM/MM Direct Dynamics Simulations

Journal of Physical Chemistry C - United States
doi 10.1021/acs.jpcc.8b00301
Full Text
Abstract

Available in full text

Date
Authors
Publisher

American Chemical Society (ACS)

Related search

Solution Structure and Ultrafast Vibrational Relaxation of the PtPOP Complex Revealed by SCF-QM/MM Direct Dynamics Simulations

English

Complete Reaction Mechanism of Indoleamine 2,3-Dioxygenase as Revealed by QM/MM Simulations

Journal of Physical Chemistry B
SurfacesTheoretical ChemistryMaterials ChemistryFilmsMedicineCoatingsPhysical
2012English

Reaction Mechanism of the Bioluminescent Protein Mnemiopsin1 Revealed by X-Ray Crystallography and QM/MM Simulations

Journal of Biological Chemistry
BiochemistryCell BiologyMolecular Biology
2018English

Retinal Flipping During Rhodopsin Activation Revealed by Solid State 2H NMR and QM/MM Simulations

Biophysical Journal
Biophysics
2019English

Vibrational Analysis of Boldine Hydrochloride Using QM/MM Approach

Spectroscopy
2010English

Biomolecular Solvation Structure Revealed by Molecular Dynamics Simulations

2018English

The Structure and Dynamics of Chitin Nanofibrils in an Aqueous Environment Revealed by Molecular Dynamics Simulations

RSC Advances
ChemistryChemical Engineering
2016English

Predicting Relative Binding Affinity Using Nonequilibrium QM/MM Simulations

English

Cope Elimination: Elucidation of Solvent Effects From QM/MM Simulations

English

Amanote Research

Note-taking for researchers

Follow Amanote

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

Privacy PolicyRefund Policy