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Sheridan, Robert P, Karnachi, Prabha, Tudor, Matthew, Xu, Yuting, Liaw, Andy, Shah, Falgun, Cheng, Alan C, Joshi, Elizabeth, Glick, Meir, Alvarez, Juan
Published in Journal of chemical information and modeling (27.04.2020)
Published in Journal of chemical information and modeling (27.04.2020)
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Structure-based maximal affinity model predicts small-molecule druggability
Cheng, Alan C, Coleman, Ryan G, Smyth, Kathleen T, Cao, Qing, Soulard, Patricia, Caffrey, Daniel R, Salzberg, Anna C, Huang, Enoch S
Published in Nature biotechnology (01.01.2007)
Published in Nature biotechnology (01.01.2007)
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Discovery and multimerization of cross-reactive single-domain antibodies against SARS-like viruses to enhance potency and address emerging SARS-CoV-2 variants
Hollingsworth, Scott A, Noland, Cameron L, Vroom, Karin, Saha, Anasuya, Sam, Miranda, Gao, Qinshan, Zhou, Haihong, Grandy, David U, Singh, Sujata, Wen, Zhiyun, Warren, Christopher, Ma, Xiaohong Shirley, Malashock, Daniel, Galli, Jennifer, Go, Gwenny, Eddins, Michael, Mayhood, Todd, Sathiyamoorthy, Karthik, Fridman, Arthur, Raoufi, Fahimeh, Gomez-Llorente, Yacob, Patridge, Andrea, Tang, Yinyan, Chen, Shi-Juan, Bailly, Marc, Ji, Chengjie, Kingsley, Laura J, Cheng, Alan C, Geierstanger, Bernhard H, Gorman, Daniel M, Zhang, Lan, Pande, Kalyan
Published in Scientific reports (22.08.2023)
Published in Scientific reports (22.08.2023)
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MolPROP: Molecular Property prediction with multimodal language and graph fusion
Rollins, Zachary A., Cheng, Alan C., Metwally, Essam
Published in Journal of cheminformatics (22.05.2024)
Published in Journal of cheminformatics (22.05.2024)
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A machine learning strategy for the identification of key in silico descriptors and prediction models for IgG monoclonal antibody developability properties
Waight, Andrew B., Prihoda, David, Shrestha, Rojan, Metcalf, Kevin, Bailly, Marc, Ancona, Marco, Widatalla, Talal, Rollins, Zachary, Cheng, Alan C, Bitton, Danny A., Fayadat-Dilman, Laurence
Published in mAbs (31.12.2023)
Published in mAbs (31.12.2023)
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Discovery of a new class of integrin antibodies for fibrosis
Zhang, Ji, Wang, Tao, Saigal, Ashmita, Johnson, Josephine, Morrisson, Jennifer, Tabrizifard, Sahba, Hollingsworth, Scott A, Eddins, Michael J, Mao, Wenxian, O'Neill, Kim, Garcia-Calvo, Margarita, Carballo-Jane, Ester, Liu, DingGang, Ham, Taewon, Zhou, Qiong, Dong, Weifeng, Meng, Hsien-Wei, Hicks, Jacqueline, Cai, Tian-Quan, Akiyama, Taro, Pinto, Shirly, Cheng, Alan C, Greshock, Thomas, Marquis, John C, Ren, Zhao, Talukdar, Saswata, Shaheen, Hussam Hisham, Handa, Masahisa
Published in Scientific reports (22.01.2021)
Published in Scientific reports (22.01.2021)
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Hexamerization of Anti-SARS CoV IgG1 Antibodies Improves Neutralization Capacity
Pande, Kalyan, Hollingsworth, Scott A, Sam, Miranda, Gao, Qinshan, Singh, Sujata, Saha, Anasuya, Vroom, Karin, Ma, Xiaohong Shirley, Brazell, Tres, Gorman, Dan, Chen, Shi-Juan, Raoufi, Fahimeh, Bailly, Marc, Grandy, David, Sathiyamoorthy, Karthik, Zhang, Lan, Thompson, Rob, Cheng, Alan C, Fayadat-Dilman, Laurence, Geierstanger, Bernhard H, Kingsley, Laura J
Published in Frontiers in immunology (04.05.2022)
Published in Frontiers in immunology (04.05.2022)
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Structure- and Property-Based Design of Aminooxazoline Xanthenes as Selective, Orally Efficacious, and CNS Penetrable BACE Inhibitors for the Treatment of Alzheimer’s Disease
Huang, Hongbing, La, Daniel S, Cheng, Alan C, Whittington, Douglas A, Patel, Vinod F, Chen, Kui, Dineen, Thomas A, Epstein, Oleg, Graceffa, Russell, Hickman, Dean, Kiang, Y.-H, Louie, Steven, Luo, Yi, Wahl, Robert C, Wen, Paul H, Wood, Stephen, Fremeau, Robert T
Published in Journal of medicinal chemistry (08.11.2012)
Published in Journal of medicinal chemistry (08.11.2012)
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The prognostic value of standardized reference values for speckle-tracking global longitudinal strain in hypertrophic cardiomyopathy
Hartlage, Gregory R., Kim, Jonathan H., Strickland, Patrick T., Cheng, Alan C., Ghasemzadeh, Nima, Pernetz, Maria A., Clements, Stephen D., Williams, B. Robinson
Published in The International Journal of Cardiovascular Imaging (01.03.2015)
Published in The International Journal of Cardiovascular Imaging (01.03.2015)
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Structure-guided Discovery of Dual-recognition Chemibodies
Cheng, Alan C, Doherty, Elizabeth M, Johnstone, Sheree, DiMauro, Erin F, Dao, Jennifer, Luthra, Abhinav, Ye, Jay, Tang, Jie, Nixey, Thomas, Min, Xiaoshan, Tagari, Philip, Miranda, Les P, Wang, Zhulun
Published in Scientific reports (15.05.2018)
Published in Scientific reports (15.05.2018)
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Improvement in ADMET Prediction with Multitask Deep Featurization
Feinberg, Evan N, Joshi, Elizabeth, Pande, Vijay S, Cheng, Alan C
Published in Journal of medicinal chemistry (27.08.2020)
Published in Journal of medicinal chemistry (27.08.2020)
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Structure of the Catalytic Domain of Human Polo-like Kinase 1
Kothe, Michael, Kohls, Darcy, Low, Simon, Coli, Rocco, Cheng, Alan C, Jacques, Suzanne L, Johnson, Theresa L, Lewis, Cristina, Loh, Christine, Nonomiya, Jim, Sheils, Alissa L, Verdries, Kimberly A, Wynn, Thomas A, Kuhn, Cyrille, Ding, Yuan-Hua
Published in Biochemistry (Easton) (22.05.2007)
Published in Biochemistry (Easton) (22.05.2007)
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Structural insights into selective small molecule activation of PKG1α
Metwally, Essam, Mak, Victor, Soriano, Aileen, Zebisch, Matthias, Silvestre, H Leonardo, McEwan, Paul A, Ermakov, Grigori, Beaumont, Maribel, Tawa, Paul, Barker, John J, Yen, Rose, Patel, Akash, Lim, Yeon-Hee, Healy, David, Hanisak, Jennifer, Cheng, Alan C, Greshock, Tom, Fischmann, Thierry O
Published in Communications biology (31.07.2023)
Published in Communications biology (31.07.2023)
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AbMelt: Learning antibody thermostability from molecular dynamics
Rollins, Zachary A., Widatalla, Talal, Cheng, Alan C., Metwally, Essam
Published in Biophysical journal (03.09.2024)
Published in Biophysical journal (03.09.2024)
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Deep learning approaches in predicting ADMET properties
Cáceres, Elena L, Tudor, Matthew, Cheng, Alan C
Published in Future medicinal chemistry (01.11.2020)
Published in Future medicinal chemistry (01.11.2020)
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