المؤلفون: Tingting Li, Sumanth Gandra, Kimberly A. Reske, Margaret A. Olsen, Silvana Bommarito, Candace Miller, Karl G. Hock, Claire A. Ballman, Christina Su, Na Le Dang, Jennie H. Kwon, David K. Warren, Victoria J. Fraser, Christopher W. Farnsworth, for the Centers for Disease Control and Prevention Epicenters Program

المصدر: Antimicrobial Stewardship & Healthcare Epidemiology, Vol 2 (2022)

مصطلحات موضوعية: Infectious and parasitic diseases, RC109-216, Public aspects of medicine, RA1-1270

وصف الملف: electronic resource

Relation: https://www.cambridge.org/core/product/identifier/S2732494X22000316/type/journal_article; https://doaj.org/toc/2732-494X

URL الوصول: https://doaj.org/article/161490c2cc85409fa60822025f6e2b16

المؤلفون: Sumanth Gandra, Tingting Li, Kimberly A. Reske, Kate Peacock, Karl G. Hock, Silvana Bommarito, Candace Miller, Henry Stewart, Na Le Dang, Christopher W. Farnsworth, Margaret A. Olsen, Jennie H. Kwon, David K. Warren, Victoria J. Fraser, for the CDC Prevention Epicenters Program

المصدر: Antimicrobial Stewardship & Healthcare Epidemiology, Vol 2 (2022)

مصطلحات موضوعية: Infectious and parasitic diseases, RC109-216, Public aspects of medicine, RA1-1270

وصف الملف: electronic resource

Relation: https://www.cambridge.org/core/product/identifier/S2732494X22002698/type/journal_article; https://doaj.org/toc/2732-494X

URL الوصول: https://doaj.org/article/d385368d021241dfae7fd3c4e59a01f0

المؤلفون: Na Le Dang, Anne M. Baranger, David L. Beveridge

المصدر: Biomolecules, Vol 12, Iss 7, p 940 (2022)

مصطلحات موضوعية: Molecular dynamics, protein unfolding, transition state, U1A, Microbiology, QR1-502

وصف الملف: electronic resource

Relation: https://www.mdpi.com/2218-273X/12/7/940; https://doaj.org/toc/2218-273X

URL الوصول: https://doaj.org/article/d5bbd44a1cae4190a416331bb72d63ca

المؤلفون: Matthew K. Matlock, Na Le Dang, S. Joshua Swamidass

المصدر: ACS Central Science, Vol 4, Iss 1, Pp 52-62 (2018)

مصطلحات موضوعية: Chemistry, QD1-999

وصف الملف: electronic resource

Relation: https://doaj.org/toc/2374-7943; https://doaj.org/toc/2374-7951

URL الوصول: https://doaj.org/article/efef90e5d5dd40b6822f1543e6a86a3a

المؤلفون: Tyler B. Hughes, Na Le Dang, Grover P. Miller, S. Joshua Swamidass

المصدر: ACS Central Science, Vol 2, Iss 8, Pp 529-537 (2016)

مصطلحات موضوعية: Chemistry, QD1-999

وصف الملف: electronic resource

Relation: https://doaj.org/toc/2374-7943; https://doaj.org/toc/2374-7951

URL الوصول: https://doaj.org/article/c6f6d63fc3e84032a9fe8b88789463b3

المؤلفون: Wesley C Van Voorhis, John H Adams, Roberto Adelfio, Vida Ahyong, Myles H Akabas, Pietro Alano, Aintzane Alday, Yesmalie Alemán Resto, Aishah Alsibaee, Ainhoa Alzualde, Katherine T Andrews, Simon V Avery, Vicky M Avery, Lawrence Ayong, Mark Baker, Stephen Baker, Choukri Ben Mamoun, Sangeeta Bhatia, Quentin Bickle, Lotfi Bounaadja, Tana Bowling, Jürgen Bosch, Lauren E Boucher, Fabrice F Boyom, Jose Brea, Marian Brennan, Audrey Burton, Conor R Caffrey, Grazia Camarda, Manuela Carrasquilla, Dee Carter, Maria Belen Cassera, Ken Chih-Chien Cheng, Worathad Chindaudomsate, Anthony Chubb, Beatrice L Colon, Daisy D Colón-López, Yolanda Corbett, Gregory J Crowther, Noemi Cowan, Sarah D'Alessandro, Na Le Dang, Michael Delves, Joseph L DeRisi, Alan Y Du, Sandra Duffy, Shimaa Abd El-Salam El-Sayed, Michael T Ferdig, José A Fernández Robledo, David A Fidock, Isabelle Florent, Patrick V T Fokou, Ani Galstian, Francisco Javier Gamo, Suzanne Gokool, Ben Gold, Todd Golub, Gregory M Goldgof, Rajarshi Guha, W Armand Guiguemde, Nil Gural, R Kiplin Guy, Michael A E Hansen, Kirsten K Hanson, Andrew Hemphill, Rob Hooft van Huijsduijnen, Takaaki Horii, Paul Horrocks, Tyler B Hughes, Christopher Huston, Ikuo Igarashi, Katrin Ingram-Sieber, Maurice A Itoe, Ajit Jadhav, Amornrat Naranuntarat Jensen, Laran T Jensen, Rays H Y Jiang, Annette Kaiser, Jennifer Keiser, Thomas Ketas, Sebastien Kicka, Sunyoung Kim, Kiaran Kirk, Vidya P Kumar, Dennis E Kyle, Maria Jose Lafuente, Scott Landfear, Nathan Lee, Sukjun Lee, Adele M Lehane, Fengwu Li, David Little, Liqiong Liu, Manuel Llinás, Maria I Loza, Aristea Lubar, Leonardo Lucantoni, Isabelle Lucet, Louis Maes, Dalu Mancama, Nuha R Mansour, Sandra March, Sheena McGowan, Iset Medina Vera, Stephan Meister, Luke Mercer, Jordi Mestres, Alvine N Mfopa, Raj N Misra, Seunghyun Moon, John P Moore, Francielly Morais Rodrigues da Costa, Joachim Müller, Arantza Muriana, Stephen Nakazawa Hewitt, Bakela Nare, Carl Nathan, Nathalie Narraidoo, Sujeevi Nawaratna, Kayode K Ojo, Diana Ortiz, Gordana Panic, George Papadatos, Silvia Parapini, Kailash Patra, Ngoc Pham, Sarah Prats, David M Plouffe, Sally-Ann Poulsen, Anupam Pradhan, Celia Quevedo, Ronald J Quinn, Christopher A Rice, Mohamed Abdo Rizk, Andrea Ruecker, Robert St Onge, Rafaela Salgado Ferreira, Jasmeet Samra, Natalie G Robinett, Ulrich Schlecht, Marjorie Schmitt, Filipe Silva Villela, Francesco Silvestrini, Robert Sinden, Dennis A Smith, Thierry Soldati, Andreas Spitzmüller, Serge Maximilian Stamm, David J Sullivan, William Sullivan, Sundari Suresh, Brian M Suzuki, Yo Suzuki, S Joshua Swamidass, Donatella Taramelli, Lauve R Y Tchokouaha, Anjo Theron, David Thomas, Kathryn F Tonissen, Simon Townson, Abhai K Tripathi, Valentin Trofimov, Kenneth O Udenze, Imran Ullah, Cindy Vallieres, Edgar Vigil, Joseph M Vinetz, Phat Voong Vinh, Hoan Vu, Nao-Aki Watanabe, Kate Weatherby, Pamela M White, Andrew F Wilks, Elizabeth A Winzeler, Edward Wojcik, Melanie Wree, Wesley Wu, Naoaki Yokoyama, Paul H A Zollo, Nada Abla, Benjamin Blasco, Jeremy Burrows, Benoît Laleu, Didier Leroy, Thomas Spangenberg, Timothy Wells, Paul A Willis

المصدر: PLoS Pathogens, Vol 12, Iss 7, p e1005763 (2016)

مصطلحات موضوعية: Immunologic diseases. Allergy, RC581-607, Biology (General), QH301-705.5

وصف الملف: electronic resource

Relation: https://doaj.org/toc/1553-7366; https://doaj.org/toc/1553-7374

URL الوصول: https://doaj.org/article/18b88a00726d44659ebd19c6f7c84d1b

المؤلفون: Matthew K. Matlock (4732008), Max Hoffman (11525262), Na Le Dang (2897723), Dakota L. Folmsbee (11525265), Luke A. Langkamp (11525268), Geoffrey R. Hutchison (1291485), Neeraj Kumar (109718), Kathryn Sarullo (9545609), S. Joshua Swamidass (695947)

مصطلحات موضوعية: Biophysics, Genetics, Neuroscience, Sociology, Mathematical Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, Information Systems not elsewhere classified, without atom coordinates, provide insights valuable, many useful applications, local variable models, local variable model, encoding architectures provide, designing new materials, density functional theory, calculated atom coordinates, quantum chemistry begin, quantum chemical properties, free methods rely, commonly used methods, deep learning coordinate, deep learning, quantum mechanics, small molecules, outstanding question, molecular graphs, geometric information, correlated systems, computational resources, complex molecules

Relation: https://figshare.com/articles/journal_contribution/Deep_Learning_Coordinate-Free_Quantum_Chemistry/16746117

الاتاحة: https://doi.org/10.1021/acs.jpca.1c04462.s001

المؤلفون: Tyler B. Hughes (1361925), Noah Flynn (10035231), Na Le Dang (2897723), S. Joshua Swamidass (695947)

مصطلحات موضوعية: Biochemistry, Microbiology, Genetics, Pharmacology, Biotechnology, Cancer, Computational Biology, Biological Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, Information Systems not elsewhere classified, network converts, study models, nucleophilic sites, bioactivation predictions, Drugs Electrophilically reactive dr., blood dyscrasia, toxicity risk, dermatologic conditions, reactivity predictions, reactive metabolites, Toxic metabolite-product adducts, thiophene sulfur-oxidation, XenoSite bioactivation model, nitroaromatic reduction, Subsequent Reactivity, nonbioactivated molecules, metabolism models, AUC accuracy, quinone formation, bioactivation prediction

Relation: https://figshare.com/articles/journal_contribution/Modeling_the_Bioactivation_and_Subsequent_Reactivity_of_Drugs/13643850

الاتاحة: https://doi.org/10.1021/acs.chemrestox.0c00417.s002

المؤلفون: Luke A. Langkamp, S. Joshua Swamidass, Matthew K. Matlock, Na Le Dang, Neeraj Kumar, Geoffrey R. Hutchison, Kathryn Sarullo, Max Hoffman, Dakota Folmsbee

المصدر: The Journal of Physical Chemistry A. 125:8978-8986

مصطلحات موضوعية: Chemistry, business.industry, Deep learning, Local variable, Quantum chemistry, Convolution, Global variable, Coordinate-free, Molecule, Density functional theory, Statistical physics, Artificial intelligence, Physical and Theoretical Chemistry, business

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::37be3e50177260c26a9ecff330d99557
https://doi.org/10.1021/acs.jpca.1c04462

المؤلفون: Christopher W Farnsworth, Jennie H. Kwon, Tingting Li, Victoria J. Fraser, Karl G. Hock, Candace Miller, Na Le Dang, David K. Warren, Sumanth Gandra, Kimberly A. Reske, Margaret A. Olsen

المصدر: Kidney360

مصطلحات موضوعية: medicine.medical_specialty, Infection risk, viruses, medicine.medical_treatment, Severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2), 030232 urology & nephrology, 030204 cardiovascular system & hematology, Brief Communication, 03 medical and health sciences, 0302 clinical medicine, Renal Dialysis, Risk Factors, Outpatients, Health care, medicine, Humans, Infection control, skin and connective tissue diseases, SARS-CoV-2, business.industry, fungi, COVID-19, General Medicine, Maintenance hemodialysis, respiratory tract diseases, body regions, Increased risk, Emergency medicine, Hemodialysis, business, Delivery of Health Care

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::0bb9c37690b6f6dec3b1e424830b5a50
https://doi.org/10.34067/kid.0001282021

المؤلفون: Sanjay Joshua Swamidass, Na Le Dang, Arghya Datta, Elizabeth L. Yanik, Thiago A. Moulin, Matthew K. Matlock, Keith F. Woeltje

المصدر: IEEE Journal of Biomedical and Health Informatics. 25:2204-2214

مصطلحات موضوعية: Relative risk reduction, Psychological intervention, 030204 cardiovascular system & hematology, Logistic regression, Machine learning, computer.software_genre, Health informatics, Machine Learning, 03 medical and health sciences, 0302 clinical medicine, Health Information Management, Risk Factors, Humans, Medicine, 030212 general & internal medicine, Electrical and Electronic Engineering, Risk management, Retrospective Studies, business.industry, Confounding, Retrospective cohort study, Venous Thromboembolism, Ondansetron, Hospitals, Computer Science Applications, Artificial intelligence, business, computer, Predictive modelling, Biotechnology

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::4b0ac913106e3e90c7097a112840c36c
https://doi.org/10.1109/jbhi.2020.3033405

المؤلفون: Tyler B. Hughes, Na Le Dang, S. Joshua Swamidass, Noah R. Flynn

المصدر: Chem Res Toxicol

مصطلحات موضوعية: Drug, media_common.quotation_subject, Metabolite, Thiophenes, 010501 environmental sciences, Toxicology, Models, Biological, 01 natural sciences, Article, 03 medical and health sciences, Benzbromarone, chemistry.chemical_compound, medicine, Humans, Nitrobenzenes, 030304 developmental biology, 0105 earth and related environmental sciences, media_common, chemistry.chemical_classification, 0303 health sciences, Molecular Structure, Quinones, General Medicine, Metabolism, Alclofenac, Enzyme, Biochemistry, chemistry, Astemizole, Epoxy Compounds, Oxidation-Reduction, Sulfur, Drug metabolism, medicine.drug

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::adff336b3fe5b817bb434941fca419c3
https://doi.org/10.1021/acs.chemrestox.0c00417

المؤلفون: Na Le Dang, Ayush Kumar, S. Joshua Swamidass, Noah R. Flynn, Tyler B. Hughes

المصدر: J Chem Inf Model

مصطلحات موضوعية: Drug-Related Side Effects and Adverse Reactions, 010304 chemical physics, business.industry, General Chemical Engineering, General Chemistry, Forests, Library and Information Sciences, Bioinformatics, 01 natural sciences, Article, 0104 chemical sciences, Computer Science Applications, 010404 medicinal & biomolecular chemistry, Pharmaceutical Preparations, 0103 physical sciences, Humans, Medicine, business, Drug metabolism

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::1e91f0cfdfea0ee70c09e96b9a8edf1c
https://doi.org/10.1021/acs.jcim.0c00360

المؤلفون: Matthew K. Matlock, Na Le Dang, S. Joshua Swamidass, Tyler B. Hughes

المصدر: J Chem Inf Model

مصطلحات موضوعية: General Chemical Engineering, Color, Absorption (skin), Library and Information Sciences, 01 natural sciences, Article, law.invention, Excretion, Deep Learning, law, 0103 physical sciences, Animals, Humans, chemistry.chemical_classification, 010304 chemical physics, Chemistry, General Chemistry, Metabolism, 0104 chemical sciences, Computer Science Applications, 010404 medicinal & biomolecular chemistry, Enzyme, Biochemistry, Toxicity, Microsomes, Liver, Microsome, Recombinant DNA, Neural Networks, Computer, Metabolic Networks and Pathways, Drug metabolism

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::e265373740f7ec76f046d79ca2b2eb8e
https://doi.org/10.1021/acs.jcim.9b00836

المؤلفون: Na Le Dang

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_________::2ec19804883ebbeb1aab0019dd8219aa
https://doi.org/10.14418/wes01.2.54

المؤلفون: Noah R. Flynn, Na Le Dang, S. Joshua Swamidass, Michael D. Ward

المصدر: J Chem Inf Model

مصطلحات موضوعية: Drug, chemistry.chemical_classification, Drug-Related Side Effects and Adverse Reactions, Chemistry, General Chemical Engineering, Metabolite, media_common.quotation_subject, Biomolecule, Metabolic network, General Chemistry, Computational biology, Library and Information Sciences, Article, Computer Science Applications, Adduct, chemistry.chemical_compound, Drug development, Humans, Drug metabolism, Metabolic Networks and Pathways, media_common, Conjugate

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::3e3c7ca056c85ec5c3d9c2e5d53aae05
https://europepmc.org/articles/PMC8716322/

المؤلفون: Gunnar Boysen, Mary A. Davis, Grover P. Miller, S. Joshua Swamidass, Na Le Dang, Dustyn A. Barnette, Tyler B. Hughes, Anirudh S. Pidugu

المصدر: Biochemical Pharmacology. 156:10-21

مصطلحات موضوعية: 0301 basic medicine, Drug, Antifungal Agents, Liver toxicity, media_common.quotation_subject, Metabolite, Computational biology, Models, Biological, 030226 pharmacology & pharmacy, Biochemistry, Article, Cell Line, Structure-Activity Relationship, 03 medical and health sciences, chemistry.chemical_compound, 0302 clinical medicine, medicine, Humans, Computer Simulation, Terbinafine, media_common, Pharmacology, Molecular Structure, Mechanism (biology), Metabolism, Glutathione, 030104 developmental biology, chemistry, Toxicity, medicine.drug

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::26528e16d1b61b09a2b4aaa58470c634
https://doi.org/10.1016/j.bcp.2018.07.043

المؤلفون: Na Le Dang, Grover P. Miller, S. Joshua Swamidass, Tyler B. Hughes

المصدر: Chemical Research in Toxicology. 31:68-80

مصطلحات موضوعية: Models, Molecular, 0301 basic medicine, Indinavir, Alkylation, Toxicology, 030226 pharmacology & pharmacy, Aldehyde, Article, Piperazines, 03 medical and health sciences, 0302 clinical medicine, Detoxification, Humans, Amines, Piperacillin, chemistry.chemical_classification, Aldehydes, Molecular Structure, Biological activity, General Medicine, Metabolism, Thiazoles, 030104 developmental biology, Liver, Verapamil, chemistry, Biochemistry, Dealkylation, Microsomes, Liver, Microsome, Amine gas treating, Drug metabolism

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::55aa20f26597257c9429b6885193fafd
https://doi.org/10.1021/acs.chemrestox.7b00191

المؤلفون: Matthew K. Matlock, Arghya Datta, S. Joshua Swamidass, Kevin Jiang, Na Le Dang

المصدر: IJCNN

مصطلحات موضوعية: FOS: Computer and information sciences, Computer Science - Machine Learning, 0303 health sciences, Theoretical computer science, Computer science, business.industry, Computation, Deep learning, Machine Learning (stat.ML), 02 engineering and technology, Graph, Machine Learning (cs.LG), 03 medical and health sciences, Nonlinear system, Statistics - Machine Learning, 0202 electrical engineering, electronic engineering, information engineering, Graph (abstract data type), 020201 artificial intelligence & image processing, Artificial intelligence, Graph algorithms, business, Undirected graph, 030304 developmental biology

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::1cd625c52db495d079603e46fcfc9ce2
https://doi.org/10.1109/ijcnn.2019.8852455

المؤلفون: Gandra, Sumanth, Tingting Li, Reske, Kimberly A., Peacock, Kate, Hock, Karl G., Bommarito, Silvana, Miller, Candace, Stewart, Henry, Na Le Dang, Farnsworth, Christopher W., Olsen, Margaret A., Kwon, Jennie H., Warren, David K., Fraser, Victoria J.

المصدر: Antimicrobial Stewardship & Healthcare Epidemiology; 2022, Vol. 2 Issue 1, p1-5, 5p