Comprehensive Computational Investigation of the Porphyrin-Based COF as a Nanocarrier for Delivering Anti-Cancer Drugs: A Combined MD Simulation and DFT Calculation.

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Title: Comprehensive Computational Investigation of the Porphyrin-Based COF as a Nanocarrier for Delivering Anti-Cancer Drugs: A Combined MD Simulation and DFT Calculation.
Authors: Soroushmanesh M; Department of Chemistry, Isfahan University of Technology, Isfahan 84156-83111, Islamic Republic of Iran., Dinari M; Department of Chemistry, Isfahan University of Technology, Isfahan 84156-83111, Islamic Republic of Iran., Farrokhpour H; Department of Chemistry, Isfahan University of Technology, Isfahan 84156-83111, Islamic Republic of Iran.
Source: Langmuir : the ACS journal of surfaces and colloids [Langmuir] 2024 Sep 10; Vol. 40 (36), pp. 19073-19085. Date of Electronic Publication: 2024 Aug 27.
Publication Type: Journal Article; Research Support, Non-U.S. Gov't
Journal Info: Publisher: American Chemical Society Country of Publication: United States NLM ID: 9882736 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1520-5827 (Electronic) Linking ISSN: 07437463 NLM ISO Abbreviation: Langmuir Subsets: MEDLINE
Database: MEDLINE Ultimate
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ISSN:1520-5827
DOI:10.1021/acs.langmuir.4c02154