How to Model Solvation of Peptides? Insights from a Quantum Mechanical and Molecular Dynamics Study of N-Methylacetamide. 2. 15N and 17O Nuclear Shielding in Water and in Acetone-Reference-Cited by-同舟云学术

How to Model Solvation of Peptides? Insights from a Quantum Mechanical and Molecular Dynamics Study of N-Methylacetamide. 2. 15N and 17O Nuclear Shielding in Water and in Acetone

Published:2005-04-12 Issue:19 Volume:109 Page:9830-9838
ISSN:1520-6106
Container-title:The Journal of Physical Chemistry B
language:en
Short-container-title:J. Phys. Chem. B

Author:

Mennucci Benedetta¹,Martínez José M.¹

Affiliation:

1. Dipartimento di Chimica e Chimica Industriale, Università di Pisa, via Risorgimento 35, 56126 Pisa, Italy, and Departamento de Química Física, Universidad de Sevilla, Facultad de Química, Sevilla 41012, Spain

Publisher

American Chemical Society (ACS)

Subject

Materials Chemistry,Surfaces, Coatings and Films,Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/jp050035r

Reference44 articles.

1. Dielectric Relaxation of Biological Water

2. Direct Observation of Protein Solvation and Discrete Disorder with Experimental Crystallographic Phases

3. Protein hydration in solution: Experimental observation by x-ray and neutron scattering

4. Diffusion of Solvent around Biomolecular Solutes: A Molecular Dynamics Simulation Study

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