Eric E Simanek

Publication Activity (10 Years)

Years Active: 2018-2024
Publications (10 Years): 21

Top Topics

Molecular Dynamics Simulations

Electron Microscopy

Top Venues

The Journal of organic chemistry

Molecules (Basel, Switzerland)

Chembiochem : a European journal of chemical biology

This page only lists publications with an associated author ORCID identifier.

Publications

Alexander J Menke, Zachary P Jacobus, Liam E Claton, Onofrio Annunziata, Riccardo Capelli, Giovanni M Pavan, Eric E Simanek
Proton Affinity and Conformational Integrity of a 24-Atom Triazine Macrocycle across Physiologically Relevant pH. The Journal of organic chemistry (2024)
Liam E Claton, Hongjun Pan, Eric E Simanek
Impact of Solvent and Protonation State on Rotational Barriers in [s]-Triazines. The Journal of organic chemistry 89 (8) (2024)
Liam E Claton, Hongjun Pan, Eric E Simanek
Impact of Solvent and Protonation State on Rotational Barriers in [s]-Triazines. The Journal of organic chemistry (2024)
Alexander J Menke, Zachary P Jacobus, Liam E Claton, Onofrio Annunziata, Riccardo Capelli, Giovanni M Pavan, Eric E Simanek
Proton Affinity and Conformational Integrity of a 24-Atom Triazine Macrocycle across Physiologically Relevant pH. The Journal of organic chemistry 89 (4) (2024)
Alexander J Menke, Camryn J Gloor, Liam E Claton, Magy A Mekhail, Hongjun Pan, Mikaela D Stewart, Kayla N Green, Joseph H Reibenspies, Giovanni M Pavan, Riccardo Capelli, Eric E Simanek
A Model for the Rapid Assessment of Solution Structures for 24-Atom Macrocycles: The Impact of β-Branched Amino Acids on Conformation. The Journal of organic chemistry 88 (5) (2023)
Alexander J Menke, Nicholas C Henderson, Lola C Kouretas, Anne N Estenson, Benjamin G Janesko, Eric E Simanek
Computational and Experimental Evidence for Templated Macrocyclization: The Role of a Hydrogen Bond Network in the Quantitative Dimerization of 24-Atom Macrocycles. Molecules (Basel, Switzerland) 28 (3) (2023)
Alexander J Menke, Nicholas C Henderson, Lola C Kouretas, Anne N Estenson, Benjamin G Janesko, Eric E Simanek
Computational and Experimental Evidence for Templated Macrocyclization: The Role of a Hydrogen Bond Network in the Quantitative Dimerization of 24-Atom Macrocycles. Molecules (Basel, Switzerland) 28 (3) (2023)
Alexander J Menke, Nicholas C Henderson, Lola C Kouretas, Anne N Estenson, Benjamin G Janesko, Eric E Simanek
Computational and Experimental Evidence for Templated Macrocyclization: The Role of a Hydrogen Bond Network in the Quantitative Dimerization of 24-Atom Macrocycles. Molecules (Basel, Switzerland) 28 (3) (2023)
Alexander J Menke, Nicholas C Henderson, Lola C Kouretas, Anne N Estenson, Benjamin G Janesko, Eric E Simanek
Computational and Experimental Evidence for Templated Macrocyclization: The Role of a Hydrogen Bond Network in the Quantitative Dimerization of 24-Atom Macrocycles. Molecules (Basel, Switzerland) 28 (3) (2023)
Alexander J Menke, Camryn J Gloor, Liam E Claton, Magy A Mekhail, Hongjun Pan, Mikaela D Stewart, Kayla N Green, Joseph H Reibenspies, Giovanni M Pavan, Riccardo Capelli, Eric E Simanek
A Model for the Rapid Assessment of Solution Structures for 24-Atom Macrocycles: The Impact of β-Branched Amino Acids on Conformation. The Journal of organic chemistry 88 (5) (2023)
Alexander J Menke, Camryn J Gloor, Liam E Claton, Magy A Mekhail, Hongjun Pan, Mikaela D Stewart, Kayla N Green, Joseph H Reibenspies, Giovanni M Pavan, Riccardo Capelli, Eric E Simanek
A Model for the Rapid Assessment of Solution Structures for 24-Atom Macrocycles: The Impact of β-Branched Amino Acids on Conformation. The Journal of organic chemistry 88 (5) (2023)
Alexander J Menke, Camryn J Gloor, Liam E Claton, Magy A Mekhail, Hongjun Pan, Mikaela D Stewart, Kayla N Green, Joseph H Reibenspies, Giovanni M Pavan, Riccardo Capelli, Eric E Simanek
A Model for the Rapid Assessment of Solution Structures for 24-Atom Macrocycles: The Impact of β-Branched Amino Acids on Conformation. The Journal of organic chemistry (2023)
Casey J Patterson-Gardner, Gretchen M Pavelich, April T Cannon, Alexander J Menke, Eric E Simanek
Adaptation of Empirical Methods to Predict the LogD of Triazine Macrocycles. ACS medicinal chemistry letters 14 (10) (2023)
Alexander J Menke, Nicholas C Henderson, Lola C Kouretas, Anne N Estenson, Benjamin G Janesko, Eric E Simanek
Computational and Experimental Evidence for Templated Macrocyclization: The Role of a Hydrogen Bond Network in the Quantitative Dimerization of 24-Atom Macrocycles. Molecules (Basel, Switzerland) 28 (3) (2023)
Alexander J Menke, Camryn J Gloor, Liam E Claton, Magy A Mekhail, Hongjun Pan, Mikaela D Stewart, Kayla N Green, Joseph H Reibenspies, Giovanni M Pavan, Riccardo Capelli, Eric E Simanek
A Model for the Rapid Assessment of Solution Structures for 24-Atom Macrocycles: The Impact of β-Branched Amino Acids on Conformation. The Journal of organic chemistry (2023)
Sanami Numai, Risako Yoto, Masataka Kimura, Eric E Simanek, Yoshikazu Kitano
Click Chemistry of Melamine Dendrimers: Comparison of "Click-and-Grow" and "Grow-Then-Click" Strategies Using a Divergent Route to Diversity. Molecules (Basel, Switzerland) 28 (1) (2022)
Sanami Numai, Risako Yoto, Masataka Kimura, Eric E Simanek, Yoshikazu Kitano
Click Chemistry of Melamine Dendrimers: Comparison of "Click-and-Grow" and "Grow-Then-Click" Strategies Using a Divergent Route to Diversity. Molecules (Basel, Switzerland) 28 (1) (2022)
Sanami Numai, Risako Yoto, Masataka Kimura, Eric E Simanek, Yoshikazu Kitano
Click Chemistry of Melamine Dendrimers: Comparison of "Click-and-Grow" and "Grow-Then-Click" Strategies Using a Divergent Route to Diversity. Molecules (Basel, Switzerland) 28 (1) (2022)
Riccardo Capelli, Alexander J Menke, Hongjun Pan, Benjamin G Janesko, Eric E Simanek, Giovanni M Pavan
Well-Tempered Metadynamics Simulations Predict the Structural and Dynamic Properties of a Chiral 24-Atom Macrocycle in Solution. ACS omega 7 (34) (2022)
Vishal R Sharma, Arshad Mehmood, Benjamin G Janesko, Eric E Simanek
Efficient syntheses of macrocycles ranging from 22-28 atoms through spontaneous dimerization to yield bis-hydrazones. RSC advances 10 (6) (2020)
Akop Yepremyan, Arshad Mehmood, Parham Asgari, Benjamin G Janesko, Eric E Simanek
Synthesis of Macrocycles Derived from Substituted Triazines. Chembiochem : a European journal of chemical biology 20 (2) (2018)