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- Journal of Chemical Information and Modeling - ACS Publications
Journal of Chemical Information and Modeling reports cutting-edge new methodologies and applications in chemical informatics and molecular modeling
- Journal of Chemical Information and Modeling - ACS Publications
The Journal of Chemical Information and Modeling (JCIM) is a bi-weekly peer-reviewed journal that publishes papers reporting new methodologies in chemical informatics and molecular modeling and its application and validation by experimental means
- Journal of Chemical Information and Modeling - ACS Publications
Computational modeling for nanopolysaccharide structures is enabled by the Nanopolysaccharide Builder (NPB), a Python-based toolkit for generating atomistic models of cellulose, chitin, and their bundles NPB enhances simulation capabilities across diverse nanopolysaccharides sourced from nature, with built-in support for customizable surface modifications It facilitates in-depth exploration
- Journal of Chemical Information and Modeling
To submit your manuscript, you must use the ACS Publishing Center Please review the Author Guidelines before beginning your manuscript submission You must include a graphical summary for the table of contents See the Author Guidelines section on Table of Contents Graphics for more information
- Guidelines for Reporting Molecular Dynamics Simulations in JCIM . . .
JCIM is one of the main venues for novel developments and exciting applications of MD methodologies associated with force field development, simulation protocols, and software
- DynamiSpectra: A Python Software Package and Web Platform for Molecular . . .
Supporting Information The Supporting Information is available free of charge at https: pubs acs org doi 10 1021 acs jcim 5c01270
- UMPPI: Unveiling Multilevel Protein–Peptide Interaction Prediction via . . .
The Supporting Information is available free of charge at https: pubs acs org doi 10 1021 acs jcim 4c02365 The statistical information on the data set (Figure S1); detailed description of the construction of physicochemical properties (Table S1) (PDF)
- MolGPT: Molecular Generation Using a Transformer-Decoder Model
The Supporting Information is available free of charge at https: pubs acs org doi 10 1021 acs jcim 1c00600 Results of scaffold and property conditioning, figures of scaffolds, generated molecules from scaffold conditioning, as well as scaffold and property conditioning experiments (PDF)
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