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Editor-in-Chief: Kenneth M. Merz Jr. Editors & Editorial Board Recommend this Journal Author Index Current Issue
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13,649
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228
2016 Journal Citation Reports® by Thomson Reuters, 2017
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Peptidic Macrocycles - Conformational Sampling and Thermodynamic Characterization
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Anna S. Kamenik, Uta Lessel, Julian E. Fuchs, Thomas Fox, and Klaus R. Liedl Publication Date (Web): April 13, 2018 (Article) DOI: 10.1021/acs.jcim.8b00097
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View Editor-selected, previously published research on topics of current scientific interest. Read the latest Journal of Chemical Information and Modeling virtual issue on Computational Methods for Drug Discovery and Design.
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Holistic Approach to Partial Covalent Interactions in Protein Structure Prediction and Design with Rosetta
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Steven A. Combs, Benjamin K. Mueller, and Jens Meiler Publication Date (Web): April 11, 2018 (Article) DOI: 10.1021/acs.jcim.7b00398
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Really glad to see this #compchem paper: Computational Chemistry: A Rising Tide of Women (pubs.acs.org/doi/abs/10.102…) #Diversity matters! Thanks to @JCIM_ACS for taking a lead! cc: @ACSCOMP
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Luciferase Advisor: High-Accuracy Model To Flag False Positive Hits in Luciferase HTS Assays
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Dipan Ghosh, Uwe Koch, Kamyar Hadian, Michael Sattler, and Igor V. Tetko Publication Date (Web): April 18, 2018 (Article) DOI: 10.1021/acs.jcim.7b00574
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Force Field Benchmark of Amino Acids: I. Hydration and Diffusion in Different Water Models
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Haiyang Zhang, Chunhua Yin, Yang Jiang, and David van der Spoel Publication Date (Web): April 12, 2018 (Article) DOI: 10.1021/acs.jcim.8b00026
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Computational Chemistry: A Rising Tide of Women
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M. Katharine Holloway, and Georgia B. McGaughey Publication Date (Web): April 6, 2018 (Letter) DOI: 10.1021/acs.jcim.8b00170
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