Synthetic Strategies toward SGLT2 Inhibitors von Aguillón, Anderson R, Mascarello, Alessandra, Segretti, Natanael D, de Azevedo, Hatylas F. Z, Guimaraes, Cristiano R. W, Miranda, Leandro S. M, de Souza, Rodrigo O. M. A

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Career Transitions That Require a Lot of Energy and Take You to Excited States Will Eventually Result in Brighter Professional Achievements von Guimarães, Cristiano R. W.

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Use of 3D Properties to Characterize Beyond Rule-of-5 Property Space for Passive Permeation von Guimarães, Cristiano R. W, Mathiowetz, Alan M, Shalaeva, Marina, Goetz, Gilles, Liras, Spiros

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MM-GB/SA Rescoring of Docking Poses in Structure-Based Lead Optimization von Guimarães, Cristiano R. W, Cardozo, Mario

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Identification of novel series of pyrazole and indole-urea based DFG-out PYK2 inhibitors von Bhattacharya, Samit K., Aspnes, Gary E., Bagley, Scott W., Boehm, Markus, Brosius, Arthur D., Buckbinder, Leonard, Chang, Jeanne S., Dibrino, Joseph, Eng, Heather, Frederick, Kosea S., Griffith, David A., Griffor, Matthew C., Guimarães, Cristiano R.W., Guzman-Perez, Angel, Han, Seungil, Kalgutkar, Amit S., Klug-McLeod, Jacquelyn, Garcia-Irizarry, Carmen, Li, Jianke, Lippa, Blaise, Price, David A., Southers, James A., Walker, Daniel P., Wei, Liuqing, Xiao, Jun, Zawistoski, Michael P., Zhao, Xumiao

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Design and evaluation of a 2-(2,3,6-trifluorophenyl)acetamide derivative as an agonist of the GPR119 receptor von Mascitti, Vincent, Stevens, Benjamin D., Choi, Chulho, McClure, Kim F., Guimarães, Cristiano R.W., Farley, Kathleen A., Munchhof, Michael J., Robinson, Ralph P., Futatsugi, Kentaro, Lavergne, Sophie Y., Lefker, Bruce A., Cornelius, Peter, Bonin, Paul D., Kalgutkar, Amit S., Sharma, Raman, Chen, Yue

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Understanding the Impact of the P-loop Conformation on Kinase Selectivity von Guimarães, Cristiano R. W, Rai, Brajesh K, Munchhof, Michael J, Liu, Shenping, Wang, Jian, Bhattacharya, Samit K, Buckbinder, Leonard

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Self-organizing three-dimensional Ising model of financial markets von Guimaraes, W. R. S., Lima, L. S.

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Addressing Limitations with the MM-GB/SA Scoring Procedure using the WaterMap Method and Free Energy Perturbation Calculations von Guimarães, Cristiano R. W, Mathiowetz, Alan M

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2‑Aminopyridine-Based Mitogen-Activated Protein Kinase Kinase Kinase Kinase 4 (MAP4K4) Inhibitors: Assessment of Mechanism-Based Safety von Dow, Robert L, Ammirati, Mark, Bagley, Scott W, Bhattacharya, Samit K, Buckbinder, Leonard, Cortes, Christian, El-Kattan, Ayman F, Ford, Kristen, Freeman, Gary B, Guimarães, Cristiano R. W, Liu, Shenping, Niosi, Mark, Skoura, Athanasia, Tess, David

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Structural characterization of human Vaccinia-Related Kinases (VRK) bound to small-molecule inhibitors identifies different P-loop conformations von Couñago, Rafael M., Allerston, Charles K., Savitsky, Pavel, Azevedo, Hatylas, Godoi, Paulo H., Wells, Carrow I., Mascarello, Alessandra, de Souza Gama, Fernando H., Massirer, Katlin B., Zuercher, William J., Guimarães, Cristiano R. W., Gileadi, Opher

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Discovery of a Potent, Selective, and Efficacious Class of Reversible α-Ketoheterocycle Inhibitors of Fatty Acid Amide Hydrolase Effective as Analgesics von Boger, Dale L, Miyauchi, Hiroshi, Du, Wu, Hardouin, Christophe, Fecik, Robert A, Cheng, Heng, Hwang, Inkyu, Hedrick, Michael P, Leung, Donmienne, Acevedo, Orlando, Guimarães, Cristiano R. W, Jorgensen, William L, Cravatt, Benjamin F

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Improving MM-GB/SA Scoring through the Application of the Variable Dielectric Model von Ravindranathan, Krishna, Tirado-Rives, Julian, Jorgensen, William L, Guimarães, Cristiano R. W

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Thermal decomposition of lutetium nitrate trihydrate Lu(NO3)3·3H2O von Melnikov, P., Arkhangelsky, I. V., Nascimento, V. A., de Oliveira, L. C. S., Guimaraes, W. R., Zanoni, L. Z.

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Design and Synthesis of Diazatricyclodecane Agonists of the G‑Protein-Coupled Receptor 119 von Darout, Etzer, Robinson, Ralph P, McClure, Kim F, Corbett, Matthew, Li, Bryan, Shavnya, Andrei, Andrews, Melissa P, Jones, Christopher S, Li, Qifang, Minich, Martha L, Mascitti, Vincent, Guimarães, Cristiano R. W, Munchhof, Michael J, Bahnck, Kevin B, Cai, Cuiman, Price, David A, Liras, Spiros, Bonin, Paul D, Cornelius, Peter, Wang, Ruduan, Bagdasarian, Victoria, Sobota, Colleen P, Hornby, Sam, Masterson, Victoria M, Joseph, Reena M, Kalgutkar, Amit S, Chen, Yue

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Activation of the G-Protein-Coupled Receptor 119: A Conformation-Based Hypothesis for Understanding Agonist Response von McClure, Kim F, Darout, Etzer, Guimarães, Cristiano R. W, DeNinno, Michael P, Mascitti, Vincent, Munchhof, Michael J, Robinson, Ralph P, Kohrt, Jeffrey, Harris, Anthony R, Moore, Dianna E, Li, Bryan, Samp, Lacey, Lefker, Bruce A, Futatsugi, Kentaro, Kung, Daniel, Bonin, Paul D, Cornelius, Peter, Wang, Ruduan, Salter, Eben, Hornby, Sam, Kalgutkar, Amit S, Chen, Yue

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Development of Pyridine-based Inhibitors for the Human Vaccinia-related Kinases 1 and 2 von Serafim, Ricardo A. M, de Souza Gama, Fernando H, Dutra, Luiz A, dos Reis, Caio V, Vasconcelos, Stanley N. S, da Silva Santiago, André, Takarada, Jéssica E, Di Pillo, Fúlvia, Azevedo, Hatylas, Mascarello, Alessandra, Elkins, Jonathan M, Massirer, Katlin B, Gileadi, Opher, Guimarães, Cristiano R. W, Couñago, Rafael M

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Search for Non-Nucleoside Inhibitors of HIV-1 Reverse Transcriptase Using Chemical Similarity, Molecular Docking, and MM-GB/SA Scoring von Barreiro, Gabriela, Guimarães, Cristiano R. W, Tubert-Brohman, Ivan, Lyons, Theresa M, Tirado-Rives, Julian, Jorgensen, William L

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A Direct Comparison of the MM-GB/SA Scoring Procedure and Free-Energy Perturbation Calculations Using Carbonic Anhydrase as a Test Case: Strengths and Pitfalls of Each Approach von Guimarães, Cristiano R. W

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Exploring Aromatic Chemical Space with NEAT: Novel and Electronically Equivalent Aromatic Template von Tu, Meihua, Rai, Brajesh K., Mathiowetz, Alan M., Didiuk, Mary, Pfefferkorn, Jeffrey A., Guzman-Perez, Angel, Benbow, John, Guimarães, Cristiano R. W., Mente, Scot, Hayward, Matthew M., Liras, Spiros

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