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The marine-derived sipholenol A-4-O-3-,4–dichlorobenzoate inhibits breast cancer growth and motility in vitro and in vivo through the suppression of Brk and FAK signaling

Posted on September 8, 2015December 13, 2024 by Anonymous
Posted in Hit Discovery, Informatics and Team CollaborationLeave a Comment on The marine-derived sipholenol A-4-O-3-,4–dichlorobenzoate inhibits breast cancer growth and motility in vitro and in vivo through the suppression of Brk and FAK signaling

Structure-guided discovery of cyclin-dependent kinase inhibitors

Posted on September 8, 2015December 13, 2024 by Anonymous
Posted in UncategorizedLeave a Comment on Structure-guided discovery of cyclin-dependent kinase inhibitors

Antibody Structure Determination Using a Combination of Homology Modeling, Energy-Based Refinement, and Loop Prediction

Posted on September 8, 2015December 13, 2024 by Anonymous
Posted in Biologics Drug DiscoveryLeave a Comment on Antibody Structure Determination Using a Combination of Homology Modeling, Energy-Based Refinement, and Loop Prediction

Intermediates in dioxygen activation by methane monooxygenase: a QM/MM study

Posted on September 8, 2015December 13, 2024 by Anonymous
Posted in Informatics and Team Collaboration, Structure Prediction & Target EnablementLeave a Comment on Intermediates in dioxygen activation by methane monooxygenase: a QM/MM study

Structure-based approach to the prediction of disulfide bonds in proteins

Posted on September 8, 2015December 13, 2024 by Anonymous
Posted in Biologics Drug Discovery, Structure Prediction & Target EnablementLeave a Comment on Structure-based approach to the prediction of disulfide bonds in proteins

Modeling of Ligation-induced Helix/Loop Displacements in Myoglobin: Toward an Understanding of Hemoglobin Allostery

Posted on September 8, 2015December 13, 2024 by Anonymous
Posted in UncategorizedLeave a Comment on Modeling of Ligation-induced Helix/Loop Displacements in Myoglobin: Toward an Understanding of Hemoglobin Allostery

Docking covalent inhibitors: A parameter free approach to pose prediction and scoring

Posted on September 8, 2015December 13, 2024 by Anonymous
Posted in Hit DiscoveryLeave a Comment on Docking covalent inhibitors: A parameter free approach to pose prediction and scoring

Substrate Hydroxylation in Methane Monooxygenase: Quantitative Modeling via Mixed Quantum Mechanics/Molecular Mechanics Techniques

Posted on September 8, 2015December 13, 2024 by Anonymous
Posted in UncategorizedLeave a Comment on Substrate Hydroxylation in Methane Monooxygenase: Quantitative Modeling via Mixed Quantum Mechanics/Molecular Mechanics Techniques

Ab initio structure prediction of the antibody hypervariable H3 loop

Posted on September 8, 2015December 13, 2024 by Anonymous
Posted in UncategorizedLeave a Comment on Ab initio structure prediction of the antibody hypervariable H3 loop

Dioxygen Activation in Methane Monooxygenase: A Theoretical Study

Posted on September 8, 2015December 13, 2024 by Anonymous
Posted in Structure Prediction & Target EnablementLeave a Comment on Dioxygen Activation in Methane Monooxygenase: A Theoretical Study

Prediction of Long Loops with Embedded Secondary Structure Using the Protein Local Optimization Program

Posted on September 8, 2015December 13, 2024 by Anonymous
Posted in UncategorizedLeave a Comment on Prediction of Long Loops with Embedded Secondary Structure Using the Protein Local Optimization Program

Cytochrome P450CAM Enzymatic Catalysis Cycle: A Quantum Mechanics/Molecular Mechanics Study

Posted on September 8, 2015December 13, 2024 by Anonymous
Posted in UncategorizedLeave a Comment on Cytochrome P450CAM Enzymatic Catalysis Cycle: A Quantum Mechanics/Molecular Mechanics Study

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