pyPolyBuilder: Automated Preparation of Molecular Topologies and Initial Configurations for Molecular Dynamics Simulations of Arbitrary Supramolecules-Reference-Cited by-同舟云学术

pyPolyBuilder: Automated Preparation of Molecular Topologies and Initial Configurations for Molecular Dynamics Simulations of Arbitrary Supramolecules

Published:2021-04-05 Issue:4 Volume:61 Page:1539-1544
ISSN:1549-9596
Container-title:Journal of Chemical Information and Modeling
language:en
Short-container-title:J. Chem. Inf. Model.

Author:

Ramos Mayk C.¹,Quoika Patrick K.²^ORCID,Horta Vitor A. C.³,Dias Douglas M.⁴,Costa Elan G.⁴,do Amaral Jorge L. M.⁴,Ribeiro Luigi M.⁴,Liedl Klaus R.²^ORCID,Horta Bruno A. C.¹^ORCID

Affiliation:

1. Instituto de Química, Universidade Federal do Rio de Janeiro, Rio de Janeiro 21941-909, Brazil

2. Institute for General, Inorganic and Theoretical Chemistry, Center for Molecular Biosciences Innsbruck (CMBI), University of Innsbruck, A-6020 Innsbruck, Austria

3. Insight Centre for Data Analytics at Dublin City University, Dublin 9, Ireland

4. Department of Electronics and Telecommunications Engineering, State University of Rio de Janeiro, Rio de Janeiro 20550-900, Brazil

Funder

Universidade Federal do Rio de Janeiro

Conselho Nacional de Desenvolvimento Cient?fico e Tecnol?gico

Horizon 2020 Framework Programme

Funda??o Carlos Chagas Filho de Amparo ? Pesquisa do Estado do Rio de Janeiro

Coordena??o de Aperfei?oamento de Pessoal de N?vel Superior

NACAD

Coppe

Publisher

American Chemical Society (ACS)

Subject

Library and Information Sciences,Computer Science Applications,General Chemical Engineering,General Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jcim.0c01438

Reference52 articles.

1. Key for crossing the BBB with nanoparticles: the rational design

2. Nanoparticles: Properties, applications and toxicities

3. Review on nanoparticles and nanostructured materials: history, sources, toxicity and regulations

4. A review on comparative study of PPI and PAMAM dendrimers

5. Surface-Engineered Dendrimeric Nanoconjugates for Macrophage-Targeted Delivery of Amphotericin B: Formulation Development andIn VitroandIn VivoEvaluation

Cited by 11 articles. 订阅此论文施引文献订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献

1. pyMBE: The Python-based molecule builder for ESPResSo;The Journal of Chemical Physics;2024-07-12

2. Molecular Modeling in Drug Delivery: Polymer Protective Coatings as Case Study;Exploring Computational Pharmaceutics ‐ AI and Modeling in Pharma 4.0;2024-06-21

3. High Charge Density in Peptide Dendrimers is Required to Destabilize Membranes: Insights into Endosome Evasion;Journal of Chemical Information and Modeling;2024-04-08

4. From Linear to Nets: Multiconfiguration Polymer Structure Generation with PolyFlin;Journal of Chemical Information and Modeling;2023-10-18

5. Molecular Dynamics Simulations for Rationalizing Polymer Bioconjugation Strategies: Challenges, Recent Developments, and Future Opportunities;ACS Biomaterials Science & Engineering;2023-07-19