Polarizable Density Embedding for Large Biomolecular Systems-Reference-Cited by-同舟云学术

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Polarizable Density Embedding for Large Biomolecular Systems

Published:2020-09-29 Issue:10 Volume:16 Page:5999-6006
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Reinholdt Peter¹^ORCID,Jørgensen Frederik Kamper¹,Kongsted Jacob¹^ORCID,Olsen Jógvan Magnus Haugaard²³^ORCID

Affiliation:

1. Department of Physics, Chemistry and Pharmacy, University of Southern Denmark, DK-5230 Odense M, Denmark

2. Hylleraas Centre for Quantum Molecular Sciences, Department of Chemistry, UiT The Arctic University of Norway, N-9037 Tromsø, Norway

3. Department of Chemistry, Aarhus University, DK-8000 Aarhus C, Denmark

Funder

Norges Forskningsr?d

Det Frie Forskningsr?d

H2020 Marie Sklodowska-Curie Actions

Villum Fonden

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.0c00763

Reference66 articles.

1. Recent Advances in Wave Function-Based Methods of Molecular-Property Calculations

2. Quantum Mechanical Continuum Solvation Models

3. On the Performance of Continuum Solvation Methods. A Comment on “Universal Approaches to Solvation Modeling”

4. QM/MM Methods for Biomolecular Systems

5. Mixed Quantum Mechanical/Molecular Mechanical Molecular Dynamics Simulations of Biological Systems in Ground and Electronically Excited States

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2. A Combined Quantum Mechanics and Molecular Mechanics Approach for Simulating the Optical Properties of DNA-Stabilized Silver Nanoclusters;Journal of Chemical Theory and Computation;2024-01-02

3. UV-Resonance Raman Spectra of Systems in Complex Environments: A Multiscale Modeling Applied to Doxorubicin Intercalated into DNA;J CHEM INF MODEL;2023

4. UV-Resonance Raman Spectra of Systems in Complex Environments: A Multiscale Modeling Applied to Doxorubicin Intercalated into DNA;Journal of Chemical Information and Modeling;2023-02-06

5. Nuclear Magnetic Shielding Constants with the Polarizable Density Embedding Model;Journal of Chemical Theory and Computation;2022-11-04

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