Supporting the National Cancer Institute (NCI) at Frederick Community
Included is a selective bibliography of works for a speaker presenting at the National Cancer Institute at Frederick (NCI-Frederick). Bibliographies are created and maintained by the Scientific Library staff searching standard bibliographic databases such as PubMed and Web of Science.
1. Bonilla PA, Hoop CL, Stefanisko K, Tarasov SG, Sinha S, Nicklaus MC, Tarasova NI
Virtual screening of ultra-large chemical libraries identifies cell-permeable small-molecule inhibitors of a "non-druggable" target, STAT3 N-terminal domain
Frontiers in Oncology 13 1144153 Apr 25 2023
2. Schadow G, Borodina YV, Delannée V, Ihlenfeldt WD, Godfrey AG, Nicklaus MC
Reaction SPL - extension of a public document markup standard to chemical reactions
Pure and Applied Chemistry 94 (6):657-675 Jun 2022
3. DeLaitsch AT, Pridgen JR, Tytla A, Peach ML, Hu R, Farnsworth DW, McMillan AK, Flanagan N, Temme JS, Nicklaus MC, Gildersleeve JC
Selective Recognition of Carbohydrate Antigens by Germline Antibodies Isolated from AID Knockout Mice
Journal of the American Chemical Society 144 (11):4925-4941 Mar 23 2022
4. Jain S, Siramshetty VB, Alves VM, Muratov EN, Kleinstreuer N, Tropsha A, Nicklaus MC, Simeonov A, Zakharov AV
Large-Scale Modeling of Multispecies Acute Toxicity End Points Using Consensus of Multitask Deep Learning Methods
Journal of Chemical Information and Modeling 61 (2):653-663 Feb 22 2021
5. Delannée V, Nicklaus MC
ReactionCode: format for reaction searching, analysis, classification, transform, and encoding/decoding
Journal of Cheminformatics 12 (1):72 Dec 3 2020
6. Peach ML, Beedie SL, Chau CH, Collins MK, Markolovic S, Luo W, Tweedie D, Steinebach C, Greig NH, Gütschow M, Vargesson N, Nicklaus MC, Figg WD
Antiangiogenic Activity and in Silico Cereblon Binding Analysis of Novel Thalidomide Analogs
Molecules 25 (23):5683 Dec 2 2020
7. Patel H, Ihlenfeldt WD, Judson PN, Moroz YS, Pevzner Y, Peach ML, Delannée V, Tarasova NI, Nicklaus MC
SAVI, in silico generation of billions of easily synthesizable compounds through expert-system type rules
Scientific Data 7 (1):384 Nov 11 2020
8. Judson PN, Ihlenfeldt WD, Patel H, Delannée V, Tarasova N, Nicklaus MC
Adapting CHMTRN (CHeMistry TRaNslator) for a New Use
Journal of Chemical Information and Modeling 60 (7):3336-3341 Jul 27 2020
9. Dhaked DK, Ihlenfeldt WD, Patel H, Delannée V, Nicklaus MC
Toward a Comprehensive Treatment of Tautomerism in Chemoinformatics Including in InChI V2
Journal of Chemical Information and Modeling 60 (3):1253-1275 Mar 23 2020
10. Dhaked DK, Guasch L, Nicklaus MC
Tautomer Database: A Comprehensive Resource for Tautomerism Analyses
Journal of Chemical Information and Modeling 60 (3):1090-1100 Mar 23 2020