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Andrea Bortolato

university of toronto

25H指数
81论文数
3.6K被引数
收录论文 28
发表时间
Leveraging high-throughput proteomics and AI-based protein folding to accelerate VAV1 molecular glue discovery利用高通量蛋白质组学和基于AI的蛋白质折叠加速VAV1分子胶的发现
err2026-09-12
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errOAAI
errHanfeng Lin; Xin Yu; Haiyang Zheng; Ran Cheng; Min Zhang; Xiaoli Qi; Yen-Yu Yang; Shengmin Zhou; Rui Qi; Ly Le; Andrea Bortolato; Semen Yesylevskyy; Alan Nafiiev; Xing Che; Jin Wang
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The Discovery of MORF-627, a Highly Selective Conformationally-Biased Zwitterionic Integrin αvβ6 Inhibitor for Fibrosis
err2024-10-24
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PREAI
errHarrison, Bryce A.; Dowling, James E.; Bursavich, Matthew G.; Troast, Dawn M.; Chong, Katherine M.; Hahn, Kristopher N.; Zhong, Cheng; Mulvihill, Kristen M.; Nguyen, Hanh; Monroy, Meghan F.; Qiao, Qi; Sosa, Brian; Mostafavi, Siavash; Smukste, Inese; Lee, Dooyoung; Cappellucci, Laura; Konopka, Elizabeth H.; Nowakowski, Patrycja; Stawski, Lukasz; Senices, Mayra; Nguyen, Minh Hai; Kapoor, Parmita S.; Luus, Lia; Sullivan, Andrew; Bortolato, Andrea; Svensson, Mats; Hickey, Eugene R.; Konze, Kyle D.; Day, Tyler; Kim, Byungchan; Negri, Ana; Gerasyuto, Aleksey I.; Moy, Terence I.; Lu, Min; Ray, Adrian S.; Wang, Liangsu; Cui, Dan; Lin, Fu-Yang; Lippa, Blaise; Rogers, Bruce N.
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Machine Learning Guided AQFEP: A Fast and Efficient Absolute Free Energy Perturbation Solution for Virtual Screening
err2024-08-15
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errOAAI
errCrivelli-Decker, Jordan E.; Beckwith, Zane; Tom, Gary; Le, Ly; Khuttan, Sheenam; Salomon-Ferrer, Romelia; Beall, Jackson; Gomez-Bombarelli, Rafael; Bortolato, Andrea
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Directional ΔG Neural Network (DrΔG-Net): A Modular Neural Network Approach to Binding Free Energy Prediction
err2024-03-12
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errOAAI
errMetcalf, Derek P.; Glick, Zachary L.; Bortolato, Andrea; Jiang, Andy; Cheney, Daniel L.; Sherrill, C. David
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On Ternary Complex Stability in Protein Degradation: In Silico Molecular Glue Binding Affinity Calculations
err2023-04-10
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PREAI
errWeiss, Dahlia R.; Bortolato, Andrea; Sun, Yongnian; Cai, Xianmei; Lai, Chon; Guo, Sixuan; Shi, Lihong; Shanmugasundaram, Veerabahu
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Novel Macrocyclic Antagonists of the Calcitonin Gene-Related Peptide Receptor: Design, Realization, and Structural Characterization of Protein-Ligand Complexes
err2022-03-04
err8
PREAI
errCansfield, Andrew D.; Ator, Mark A.; Banerjee, Joydeep; Bestwick, Michael; Bortolato, Andrea; Brown, Giles A.; Brown, Jason; Butkovic, Kristina; Cansfield, Julie E.; Christopher, John A.; Congreve, Miles; Cseke, Gabriella; Deflorian, Francesca; Dugan, Benjamin; Hunjadi, Martina Petrovic; Hutinec, Antun; Inturi, Trinadh Kumar; Landek, Goran; Mason, Jonathan; O'Brien, Alistair; Ott, Gregory R.; Rupcic, Renata; Saxty, Gordon; Southall, Stacey M.; Zadravec, Rahela; Watson, Stephen P.
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Deconstructing the Pharmacological Contribution of Sphingosine-1 Phosphate Receptors to Mouse Models of Multiple Sclerosis Using the Species Selectivity of Ozanimod, a Dual Modulator of Human Sphingosine 1-Phosphate Receptor Subtypes 1 and 5
err2021-12-01
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errOAAI
errSelkirk, Julie, V; Dines, Kevin C.; Yan, Yingzhuo Grace; Ching, Nathan; Dalvie, Deepak; Biswas, Shameek; Bortolato, Andrea; Schkeryantz, Jeffrey M.; Lopez, Carlos; Ruiz, Iliana; Hargreaves, Richard
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Early circulatory complications in liver transplant patients
err2019-10-01
err8
PREAI
errFeltracco, Paolo; Barbieri, Stefania; Carollo, Cristiana; Bortolato, Andrea; Michieletto, Elisa; Bertacco, Alessandra; Gringeri, Enrico; Cillo, Umberto
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Reaction-Based Enumeration, Active Learning, and Free Energy Calculations To Rapidly Explore Synthetically Tractable Chemical Space and Optimize Potency of Cyclin-Dependent Kinase 2 Inhibitors
err2019-08-12
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errOAAI
errKonze, Kyle D.; Bos, Pieter H.; Dahlgren, Markus K.; Leswing, Karl; Tubert-Brohman, Ivan; Bortolato, Andrea; Robbason, Braxton; Abel, Robert; Bhat, Sathesh
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Identification of Ligand Binding Hot Spots of the Histamine H1 Receptor following Structure-Based Fragment Optimization
err2016-09-27
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PREAI
errKuhne, Sebastiaan; Kooistra, Albert J.; Bosma, Reggie; Bortolato, Andrea; Wijtmans, Maikel; Vischer, Henry F.; Mason, Jonathan S.; de Graaf, Chris; de Esch, Iwan J. P.; Leurs, Rob
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Controlling the Dissociation of Ligands from the Adenosine A2A Receptor through Modulation of Salt Bridge Strength
err2016-07-01
err155
errOAAI
errSegala, Elena; Guo, Dong; Cheng, Robert K. Y.; Bortolato, Andrea; Deflorian, Francesca; Dore, Andrew S.; Errey, James C.; Heitman, Laura H.; IJzerman, Adriaan P.; Marshall, Fiona H.; Cooke, Robert M.
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GPCR-Bench: A Benchmarking Set and Practitioners' Guide for G Protein-Coupled Receptor Docking
err2016-03-24
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PREAI
errWeiss, Dahlia R.; Bortolato, Andrea; Tehan, Benjamin; Mason, Jonathan S.
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Decoding the Role of Water Dynamics in Ligand-Protein Unbinding: CRF1R as a Test Case
err2015-09-10
err54
PREAI
errBortolato, Andrea; Deflorian, Francesca; Weiss, Dahlia R.; Mason, Jonathan S.
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Conformational thermostabilisation of corticotropin releasing factor receptor 1
err2015-07-10
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errOAAI
errKean, James; Bortolato, Andrea; Hollenstein, Kaspar; Marshall, Fiona H.; Jazayeri, Ali
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Generic GPCR residue numbers - aligning topology maps while minding the gaps
err2015-01-01
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errOAAI
errIsberg, Vignir; de Graaf, Chris; Bortolato, Andrea; Cherezov, Vadim; Katritch, Vsevolod; Marshal, Fiona H.; Mordalski, Stefan; Pin, Jean-Philippe; Stevens, Raymond C.; Vriend, Gerrit; Gloriam, David E.
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Unifying Family A GPCR Theories of Activation
err2014-07-01
err183
PREAI
errTehan, Benjamin G.; Bortolato, Andrea; Blaney, Frank E.; Weir, Malcolm P.; Mason, Jonathan S.
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Structure of Class B GPCRs: new horizons for drug discovery
err2014-06-10
err95
errOAAI
errBortolato, Andrea; Dore, Andrew S.; Hollenstein, Kaspar; Tehan, Benjamin G.; Mason, Jonathan S.; Marshall, Fiona H.
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Insights into the structure of class B GPCRsB类GPCRs的结构洞察
err2014-01-01
err210
errOAAI
errHollenstein, Kaspar; de Graaf, Chris; Bortolato, Andrea; Wang, Ming-Wei; Marshall, Fiona H.; Stevens, Raymond C.
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Water Network Perturbation in Ligand Binding: Adenosine A2A Antagonists as a Case Study
err2013-06-14
err114
PREAI
errBortolato, Andrea; Tehan, Ben G.; Bodnarchuk, Michael S.; Essex, Jonathan W.; Mason, Jonathan S.
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