Optimizing active learning for free energy calculations
Thompson, James, Walters, W Patrick, Feng, Jianwen A, Pabon, Nicolas A, Xu, Hongcheng, Goldman, Brian B, Moustakas, Demetri, Schmidt, Molly, York, Forrest
Published in Artificial intelligence in the life sciences (01.12.2022)
Published in Artificial intelligence in the life sciences (01.12.2022)
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Journal Article
The Crystal Structure of the Catalytic Domain of the NF-κB Inducing Kinase Reveals a Narrow but Flexible Active Site
de Leon-Boenig, Gladys, Bowman, Krista K., Feng, Jianwen A., Crawford, Terry, Everett, Christine, Franke, Yvonne, Oh, Angela, Stanley, Mark, Staben, Steven T., Starovasnik, Melissa A., Wallweber, Heidi J.A., Wu, Jiansheng, Wu, Lawren C., Johnson, Adam R., Hymowitz, Sarah G.
Published in Structure (London) (10.10.2012)
Published in Structure (London) (10.10.2012)
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Journal Article
Deep Learning Approach for the Discovery of Tumor-Targeting Small Organic Ligands from DNA-Encoded Chemical Libraries
Torng, Wen, Biancofiore, Ilaria, Oehler, Sebastian, Xu, Jin, Xu, Jessica, Watson, Ian, Masina, Brenno, Prati, Luca, Favalli, Nicholas, Bassi, Gabriele, Neri, Dario, Cazzamalli, Samuele, Feng, Jianwen A.
Published in ACS omega (18.07.2023)
Published in ACS omega (18.07.2023)
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Journal Article
chemalot and chemalot_knime: Command line programs as workflow tools for drug discovery
Lee, Man-Ling, Aliagas, Ignacio, Feng, Jianwen A., Gabriel, Thomas, O’Donnell, T. J., Sellers, Benjamin D., Wiswedel, Bernd, Gobbi, Alberto
Published in Journal of cheminformatics (12.06.2017)
Published in Journal of cheminformatics (12.06.2017)
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Journal Article
Discovery of a First-in-Class Small-Molecule Ligand for WDR91 Using DNA-Encoded Chemical Library Selection Followed by Machine Learning
Ahmad, Shabbir, Xu, Jin, Feng, Jianwen A., Hutchinson, Ashley, Zeng, Hong, Ghiabi, Pegah, Dong, Aiping, Centrella, Paolo A., Clark, Matthew A., Guié, Marie-Aude, Guilinger, John P., Keefe, Anthony D., Zhang, Ying, Cerruti, Thomas, Cuozzo, John W., von Rechenberg, Moritz, Bolotokova, Albina, Li, Yanjun, Loppnau, Peter, Seitova, Alma, Li, Yen-Yen, Santhakumar, Vijayaratnam, Brown, Peter J., Ackloo, Suzanne, Halabelian, Levon
Published in Journal of medicinal chemistry (14.12.2023)
Published in Journal of medicinal chemistry (14.12.2023)
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Journal Article
Discovery of DNL343: A Potent, Selective, and Brain-Penetrant eIF2B Activator Designed for the Treatment of Neurodegenerative Diseases
Craig, Robert A., De Vicente, Javier, Estrada, Anthony A., Feng, Jianwen A., Lexa, Katrina W., Canet, Mark J., Dowdle, William E., Erickson, Rebecca I., Flores, Brittany N., Haddick, Patrick C. G., Kane, Lesley A., Lewcock, Joseph W., Moerke, Nathan J., Poda, Suresh B., Sweeney, Zachary, Takahashi, Ryan H., Tong, Vincent, Wang, Jing, Yulyaningsih, Ernie, Solanoy, Hilda, Scearce-Levie, Kimberly, Sanchez, Pascal E., Tang, Liwei, Xu, Musheng, Zhang, Rui, Osipov, Maksim
Published in Journal of medicinal chemistry (11.04.2024)
Published in Journal of medicinal chemistry (11.04.2024)
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Journal Article
Measuring experimental cyclohexane-water distribution coefficients for the SAMPL5 challenge
Rustenburg, Ariën S., Dancer, Justin, Lin, Baiwei, Feng, Jianwen A., Ortwine, Daniel F., Mobley, David L., Chodera, John D.
Published in Journal of computer-aided molecular design (01.11.2016)
Published in Journal of computer-aided molecular design (01.11.2016)
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Journal Article
Back Pocket Flexibility Provides Group II p21-Activated Kinase (PAK) Selectivity for Type I 1/2 Kinase Inhibitors
Staben, Steven T, Feng, Jianwen A, Lyle, Karen, Belvin, Marcia, Boggs, Jason, Burch, Jason D, Chua, Ching-ching, Cui, Haifeng, DiPasquale, Antonio G, Friedman, Lori S, Heise, Christopher, Koeppen, Hartmut, Kotey, Adrian, Mintzer, Robert, Oh, Angela, Roberts, David Allen, Rouge, Lionel, Rudolph, Joachim, Tam, Christine, Wang, Weiru, Xiao, Yisong, Young, Amy, Zhang, Yamin, Hoeflich, Klaus P
Published in Journal of medicinal chemistry (13.02.2014)
Published in Journal of medicinal chemistry (13.02.2014)
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Journal Article
Structure Based Design of Potent Selective Inhibitors of Protein Kinase D1 (PKD1)
Feng, Jianwen A, Lee, Patrick, Alaoui, Moulay Hicham, Barrett, Kathy, Castanedo, Georgette, Godemann, Robert, McEwan, Paul, Wang, Xiaolu, Wu, Ping, Zhang, Yamin, Harris, Seth F, Staben, Steven T
Published in ACS medicinal chemistry letters (12.09.2019)
Published in ACS medicinal chemistry letters (12.09.2019)
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Journal Article
Corrigendum to “Optimizing active learning for free energy Calculations” [Artificial Intelligence in the Life Sciences, 2 (2022) 100050]
Thompson, James, Walters, W Patrick, Feng, Jianwen A, Pabon, Nicolas A, Xu, Hongcheng, Goldman, Brian B, Moustakas, Demetri, Schmidt, Molly, York, Forrest
Published in Artificial intelligence in the life sciences (01.12.2023)
Published in Artificial intelligence in the life sciences (01.12.2023)
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Journal Article
An integrated suite of modeling tools that empower scientists in structure- and property-based drug design
Feng, Jianwen A., Aliagas, Ignacio, Bergeron, Philippe, Blaney, Jeff M., Bradley, Erin K., Koehler, Michael F. T., Lee, Man-Ling, Ortwine, Daniel F., Tsui, Vickie, Wu, Johnny, Gobbi, Alberto
Published in Journal of computer-aided molecular design (01.06.2015)
Published in Journal of computer-aided molecular design (01.06.2015)
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Journal Article
Conformational Manifold of α-Aminoisobutyric Acid (Aib) Containing Alanine-Based Tripeptides in Aqueous Solution Explored by Vibrational Spectroscopy, Electronic Circular Dichroism Spectroscopy, and Molecular Dynamics Simulations
Schweitzer-Stenner, Reinhard, Gonzales, Widalys, Bourne, Gregory T, Feng, Jianwen A, Marshall, Garland R
Published in Journal of the American Chemical Society (31.10.2007)
Published in Journal of the American Chemical Society (31.10.2007)
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Journal Article
화합물, 조성물 및 방법
ESTRADA ANTHONY A, DE VICENTE FIDALGO JAVIER, SWEENEY ZACHARY K, FENG JIANWEN A
Year of Publication 14.12.2021
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Year of Publication 14.12.2021
Patent
화합물, 조성물 및 방법
OSIPOV MAKSIM, CRAIG ROBERT A. II, ESTRADA ANTHONY A, THOTTUMKARA ARUN, FOX BRIAN M, DE VICENTE FIDALGO JAVIER, FENG JIANWEN A
Year of Publication 19.10.2021
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Year of Publication 19.10.2021
Patent
Chimeric Protein Engineering
Feng, Jianwen A, Tessler, Lee A, Marshall, Garland R
Published in International journal of peptide research and therapeutics (01.06.2007)
Published in International journal of peptide research and therapeutics (01.06.2007)
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Journal Article