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2005 216
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7,589 results

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Page 1
New Trends in Virtual Screening.
Walters WP, Wang R. Walters WP, et al. J Chem Inf Model. 2020 Sep 28;60(9):4109-4111. doi: 10.1021/acs.jcim.0c01009. J Chem Inf Model. 2020. PMID: 32981325 No abstract available.
Computational Chemistry in Asia.
Wei GW, Soares TA, Wahab H, Wang R. Wei GW, et al. J Chem Inf Model. 2021 Feb 22;61(2):547. doi: 10.1021/acs.jcim.1c00081. Epub 2021 Feb 2. J Chem Inf Model. 2021. PMID: 33529020 No abstract available.
Generative Models for Molecular Design.
Merz KM Jr, De Fabritiis G, Wei GW. Merz KM Jr, et al. J Chem Inf Model. 2020 Dec 28;60(12):5635-5636. doi: 10.1021/acs.jcim.0c01388. J Chem Inf Model. 2020. PMID: 33378853 No abstract available.
AI-Driven Drug Discovery for Rare Diseases.
Gangwal A, Lavecchia A. Gangwal A, et al. J Chem Inf Model. 2025 Mar 10;65(5):2214-2231. doi: 10.1021/acs.jcim.4c01966. Epub 2024 Dec 17. J Chem Inf Model. 2025. PMID: 39689164 Review.
Exploring Novel Directions in Free Energy Calculations.
Armacost KA, Riniker S, Cournia Z. Armacost KA, et al. J Chem Inf Model. 2020 Nov 23;60(11):5283-5286. doi: 10.1021/acs.jcim.0c01266. J Chem Inf Model. 2020. PMID: 33222441 No abstract available.
Machine-Learning-Enabled Thermochemistry Estimator.
Xie T, Wittreich GR, Curnan MT, Gu GH, Seals KN, Tolbert JS. Xie T, et al. J Chem Inf Model. 2025 Jan 13;65(1):214-222. doi: 10.1021/acs.jcim.4c00989. Epub 2024 Dec 16. J Chem Inf Model. 2025. PMID: 39680848
Modeling Protein-Glycan Interactions with HADDOCK.
Ranaudo A, Giulini M, Pelissou Ayuso A, Bonvin AMJJ. Ranaudo A, et al. J Chem Inf Model. 2024 Oct 14;64(19):7816-7825. doi: 10.1021/acs.jcim.4c01372. Epub 2024 Oct 3. J Chem Inf Model. 2024. PMID: 39360946 Free PMC article.
AI-Augmented R-Group Exploration in Medicinal Chemistry.
Zhao H, Kwapień K, Nittinger E, Tyrchan C, Nilsson M, Berglund S, Czechtizky W. Zhao H, et al. J Chem Inf Model. 2025 Mar 10;65(5):2251-2255. doi: 10.1021/acs.jcim.4c02326. Epub 2025 Feb 17. J Chem Inf Model. 2025. PMID: 39959996
7,589 results