Analysis of Different Fragmentation Strategies on a Variety of Large Peptides: Implementation of a Low Level of Theory in Fragment-Based Methods Can Be a Crucial Factor-Reference-Cited by-同舟云学术

Analysis of Different Fragmentation Strategies on a Variety of Large Peptides: Implementation of a Low Level of Theory in Fragment-Based Methods Can Be a Crucial Factor

Published:2015-04-08 Issue:5 Volume:11 Page:2012-2023
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Saha Arjun¹,Raghavachari Krishnan¹

Affiliation:

1. Department of Chemistry, Indiana University, Bloomington, Indiana 47405, United States

Funder

Division of Chemistry

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/ct501045s

Reference61 articles.

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2. On the application of the IMOMO (integrated molecular orbital + molecular orbital) method

3. ONIOM as an efficient tool for calculating NMR chemical shielding constants in large molecules

4. ONIOM: A Multilayered Integrated MO + MM Method for Geometry Optimizations and Single Point Energy Predictions. A Test for Diels−Alder Reactions and Pt(P(t-Bu)3)2 + H2 Oxidative Addition

5. Fragmentation Methods: A Route to Accurate Calculations on Large Systems

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