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Synthetic Strategies toward SGLT2 Inhibitors

Organic process research & development, 2018-04, Vol.22 (4), p.467-488

2018

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Use of 3D Properties to Characterize Beyond Rule-of-5 Property Space for Passive Permeation

Journal of chemical information and modeling, 2012-04, Vol.52 (4), p.882-890

2012

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MM-GB/SA Rescoring of Docking Poses in Structure-Based Lead Optimization

Journal of chemical information and computer sciences, 2008-05, Vol.48 (5), p.958-970

2008

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Identification of novel series of pyrazole and indole-urea based DFG-out PYK2 inhibitors

Bioorganic & medicinal chemistry letters, 2012-12, Vol.22 (24), p.7523-7529

2012

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Design and evaluation of a 2-(2,3,6-trifluorophenyl)acetamide derivative as an agonist of the GPR119 receptor

Bioorganic & medicinal chemistry letters, 2011-03, Vol.21 (5), p.1306-1309

2011

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Understanding the Impact of the P-loop Conformation on Kinase Selectivity

Journal of chemical information and modeling, 2011-06, Vol.51 (6), p.1199-1204

2011

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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

Journal of medicinal chemistry, 2024-09

Guimarães, Cristiano R W

2024

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Self-organizing three-dimensional Ising model of financial markets

Physical review. E, 2021-06, Vol.103 (6), Article 062130

2021

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Addressing Limitations with the MM-GB/SA Scoring Procedure using the WaterMap Method and Free Energy Perturbation Calculations

Journal of chemical information and modeling, 2010-04, Vol.50 (4), p.547-559

2010

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2‑Aminopyridine-Based Mitogen-Activated Protein Kinase Kinase Kinase Kinase 4 (MAP4K4) Inhibitors: Assessment of Mechanism-Based Safety

Journal of medicinal chemistry, 2018-04, Vol.61 (7), p.3114-3125

2018

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Structural characterization of human Vaccinia-Related Kinases (VRK) bound to small-molecule inhibitors identifies different P-loop conformations

Scientific reports, 2017-08, Vol.7 (1), p.7501-12, Article 7501

2017

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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

Journal of medicinal chemistry, 2005-03, Vol.48 (6), p.1849-1856

2005

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Improving MM-GB/SA Scoring through the Application of the Variable Dielectric Model

Journal of chemical theory and computation, 2011-12, Vol.7 (12), p.3859-3865

2011

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Thermal decomposition of lutetium nitrate trihydrate Lu(NO3)3·3H2O

Journal of thermal analysis and calorimetry, 2018, Vol.131 (2), p.1269-1276

2018

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Design and Synthesis of Diazatricyclodecane Agonists of the G‑Protein-Coupled Receptor 119

Journal of medicinal chemistry, 2013-01, Vol.56 (1), p.301-319

2013

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Development of Pyridine-based Inhibitors for the Human Vaccinia-related Kinases 1 and 2

ACS medicinal chemistry letters, 2019-09, Vol.10 (9), p.1266-1271

2019

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Activation of the G-Protein-Coupled Receptor 119: A Conformation-Based Hypothesis for Understanding Agonist Response

Journal of medicinal chemistry, 2011-03, Vol.54 (6), p.1948-1952

2011

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Search for Non-Nucleoside Inhibitors of HIV-1 Reverse Transcriptase Using Chemical Similarity, Molecular Docking, and MM-GB/SA Scoring

Journal of chemical information and modeling, 2007-11, Vol.47 (6), p.2416-2428

2007

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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

Journal of chemical theory and computation, 2011-07, Vol.7 (7), p.2296-2306

Guimarães, Cristiano R. W

2011

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Exploring Aromatic Chemical Space with NEAT: Novel and Electronically Equivalent Aromatic Template

Journal of chemical information and modeling, 2012-05, Vol.52 (5), p.1114-1123

2012

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An Efficient Synthesis of Bridged Heterocycles from an Ir(I) Bis-Amination/Ring-Closing Metathesis Sequence

Organic letters, 2012-09, Vol.14 (18), p.4802-4805

2012

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From Docking False-Positive to Active Anti-HIV Agent

Journal of medicinal chemistry, 2007-11, Vol.50 (22), p.5324-5329

2007

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Discovery of an in Vivo Tool to Establish Proof-of-Concept for MAP4K4-Based Antidiabetic Treatment

ACS medicinal chemistry letters, 2015-11, Vol.6 (11), p.1128-1133

2015

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Deconstruction of Activity-Dependent Covalent Modification of Heme in Human Neutrophil Myeloperoxidase by Multistage Mass Spectrometry (MS4)

Biochemistry (Easton), 2012-03, Vol.51 (10), p.2065-2077

2012

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Synthetic Strategies toward SGLT2 Inhibitors

Use of 3D Properties to Characterize Beyond Rule-of-5 Property Space for Passive Permeation

MM-GB/SA Rescoring of Docking Poses in Structure-Based Lead Optimization

Identification of novel series of pyrazole and indole-urea based DFG-out PYK2 inhibitors

Design and evaluation of a 2-(2,3,6-trifluorophenyl)acetamide derivative as an agonist of the GPR119 receptor

Understanding the Impact of the P-loop Conformation on Kinase Selectivity

Career Transitions That Require a Lot of Energy and Take You to Excited States Will Eventually Result in Brighter Professional Achievements

Self-organizing three-dimensional Ising model of financial markets

Addressing Limitations with the MM-GB/SA Scoring Procedure using the WaterMap Method and Free Energy Perturbation Calculations

2‑Aminopyridine-Based Mitogen-Activated Protein Kinase Kinase Kinase Kinase 4 (MAP4K4) Inhibitors: Assessment of Mechanism-Based Safety

Structural characterization of human Vaccinia-Related Kinases (VRK) bound to small-molecule inhibitors identifies different P-loop conformations

Discovery of a Potent, Selective, and Efficacious Class of Reversible α-Ketoheterocycle Inhibitors of Fatty Acid Amide Hydrolase Effective as Analgesics

Improving MM-GB/SA Scoring through the Application of the Variable Dielectric Model

Thermal decomposition of lutetium nitrate trihydrate Lu(NO3)3·3H2O

Design and Synthesis of Diazatricyclodecane Agonists of the G‑Protein-Coupled Receptor 119

Development of Pyridine-based Inhibitors for the Human Vaccinia-related Kinases 1 and 2

Activation of the G-Protein-Coupled Receptor 119: A Conformation-Based Hypothesis for Understanding Agonist Response

Search for Non-Nucleoside Inhibitors of HIV-1 Reverse Transcriptase Using Chemical Similarity, Molecular Docking, and MM-GB/SA Scoring

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

Exploring Aromatic Chemical Space with NEAT: Novel and Electronically Equivalent Aromatic Template

An Efficient Synthesis of Bridged Heterocycles from an Ir(I) Bis-Amination/Ring-Closing Metathesis Sequence

From Docking False-Positive to Active Anti-HIV Agent

Novel Dihydropteridinone Derivatives As Potent Inhibitors of the Understudied Human Kinases Vaccinia-Related Kinase 1 and Casein Kinase 1δ/ε

Discovery of an in Vivo Tool to Establish Proof-of-Concept for MAP4K4-Based Antidiabetic Treatment

Deconstruction of Activity-Dependent Covalent Modification of Heme in Human Neutrophil Myeloperoxidase by Multistage Mass Spectrometry (MS4)

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