Toward the Quantum Chemical Calculation of NMR Chemical Shifts of Proteins. 3. Conformational Sampling and Explicit Solvents Model-Reference-Cited by-同舟云学术

Toward the Quantum Chemical Calculation of NMR Chemical Shifts of Proteins. 3. Conformational Sampling and Explicit Solvents Model

Published:2012-10-15 Issue:11 Volume:8 Page:4818-4827
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Exner Thomas E.¹²,Frank Andrea¹,Onila Ionut²,Möller Heiko M.¹

Affiliation:

1. Department of Chemistry and Zukunftskolleg, University of Konstanz, 78457 Konstanz, Germany

2. Theoretical Medicinal Chemistry and Biophysics, Institute of Pharmacy, Eberhard Karls University Tübingen, Auf der Morgenstelle 8, 72076 Tübingen, Germany

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/ct300701m

Reference85 articles.

1. NMR TECHNIQUES FOR VERY LARGE PROTEINS AND RNAS IN SOLUTION

2. NMR studies of protein structure and dynamics

3. NMR spectroscopy of large molecules and multimolecular assemblies in solution

4. CHEMICAL SHIFTS IN AMINO ACIDS, PEPTIDES, AND PROTEINS: From Quantum Chemistry to Drug Design

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