An automated framework for NMR chemical shift calculations of small organic molecules Y Yesiltepe, JR Nuñez, SM Colby, DG Thomas, MI Borkum, PN Reardon, ... Journal of cheminformatics 10 (1), 52, 2018 | 50 | 2018 |
Isolation of Tryptanthrin and Reassessment of Evidence for Its Isobaric Isostere Wrightiadione in Plants of the Wrightia Genus RC Garcellano, SGA Moinuddin, RP Young, M Zhou, ME Bowden, ... Journal of natural products, 2018 | 17 | 2018 |
Application and Assessment of Deep Learning for the Generation of Potential NMDA Receptor Antagonists KJ Schultz, SM Colby, Y Yesiltepe, JR Nuñez, MY McGrady, RR Renslow arXiv preprint arXiv:2003.14360, 2020 | 12 | 2020 |
Chespa: Streamlining Expansive Chemical Space Evaluation of Molecular Sets JR Nuñez, M Mcgrady, Y Yesiltepe, RS Renslow, TO Metz Journal of Chemical Information and Modeling, 2020 | 6 | 2020 |
Nitrogen Source Governs Community Carbon Metabolism in a Model Hypersaline Benthic Phototrophic Biofilm CR Anderton, JM Mobberley, JK Cole, JR Nunez, R Starke, AA Boaro, ... Msystems 5 (3), 2020 | 5 | 2020 |
An Initial Investigation of Accuracy Required for the Identification of Small Molecules in Complex Samples Using Quantum Chemical Calculated NMR Chemical Shifts Y Yesiltepe, N Govind, TO Metz, R Renslow | 3 | 2020 |
SPECTRe: Substructure Processing, Enumeration, and Comparison Tool Resource: An efficient tool to encode all substructures of molecules represented in SMILES Y Yesiltepe, RS Renslow, TO Metz arXiv preprint arXiv:2111.03227, 2021 | 1 | 2021 |
In silico metabolite property libraries and quantitative chemical space analysis: Path toward novel molecule identification and false discovery assessment R Renslow, S Colby, J Nunez, Y Yesiltepe, N Govind, D Thomas, J Cort, ... ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 258, 2019 | | 2019 |
Optimal conformer selection for accurate in silico chemical property prediction F Nielson, D Thomas, S Colby, Y Yesiltepe, R Renslow ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 258, 2019 | | 2019 |
Elucidation of chemical dark matter using'standards-free'small molecule identification R Renslow, S Colby, D Thomas, J Nunez, Y Yesiltepe, N Govind, J Cort, ... ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 257, 2019 | | 2019 |
Targeted conformational transitions of large and multimeric proteins by an efficient elastic network based technique Y Yesiltepe, D Findik, A Uyar, D Turgut, R Ozisik, T Haliloglu, P Doruker Protein Science 24, 226, 2015 | | 2015 |
Targeted Conformational Transitions of Multimeric Proteins by Monte Carlo Simulations Combined with Collective Anisotropic Network Model Modes Y Yesiltepe, A Uyar, D Turgut, T Haliloglu, P Doruker, R Ozisik Biophysical Journal 108 (2), 211a, 2015 | | 2015 |
HIGH-THROUGHPUT CALCULATION OF SMALL MOLECULE NMR CHEMICAL SHIFTS AND MOLECULAR FRAGMENTS Y Yesiltepe Washington State University, 0 | | |
Elucidation of Chemical Dark Matter in Soil Using ‘Standards-free’Small Molecule Identification R Renslow, D Thomas, S Colby, J Nuñez, Y Yesiltepe, N Govind, J Cort, ... | | |