Bioinformatics-Guided Expansion and Discovery of Graspetides
Ramesh, Sangeetha, Guo, Xiaorui, DiCaprio, Adam J, De Lio, Ashley M, Harris, Lonnie A, Kille, Bryce L, Pogorelov, Taras V, Mitchell, Douglas A
Published in ACS chemical biology (17.12.2021)
Published in ACS chemical biology (17.12.2021)
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Journal Article
Fungicidal amphotericin B sponges are assemblies of staggered asymmetric homodimers encasing large void volumes
Lewandowska, Agnieszka, Soutar, Corinne P., Greenwood, Alexander I., Nimerovsky, Evgeny, De Lio, Ashley M., Holler, Jordan T., Hisao, Grant S., Khandelwal, Anuj, Zhang, Jiabao, SantaMaria, Anna M., Schwieters, Charles D., Pogorelov, Taras V., Burke, Martin D., Rienstra, Chad M.
Published in Nature structural & molecular biology (01.12.2021)
Published in Nature structural & molecular biology (01.12.2021)
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Journal Article
Simple Metal‐Free Direct Reductive Amination Using Hydrosilatrane to Form Secondary and Tertiary Amines
Varjosaari, Sami E., Skrypai, Vladislav, Suating, Paolo, Hurley, Joseph J. M., Lio, Ashley M. De, Gilbert, Thomas M., Adler, Marc J.
Published in Advanced synthesis & catalysis (06.06.2017)
Published in Advanced synthesis & catalysis (06.06.2017)
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Journal Article
Estimating Ring Strain Energies of Highly Substituted Cyclohexanes with the Semi-homodesmotic Approach: Why Substantial Ring Strain Exists for Nominally Tetrahedral Ring Carbon Atoms
De Lio, Ashley M, Durfey, Bridget L, Gilbert, Thomas M
Published in Journal of organic chemistry (16.10.2015)
Published in Journal of organic chemistry (16.10.2015)
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A Semi-homodesmotic Approach for Estimating Ring Strain Energies (RSEs) of Highly Substituted Cyclopropanes That Minimizes Use of Acyclic References and Cancels Steric Interactions: RSEs for c‑C3R6 that Make Sense
De Lio, Ashley M, Durfey, Bridget L, Gille, Austin L, Gilbert, Thomas M
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (07.08.2014)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (07.08.2014)
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Journal Article
Computational Studies of Relative Stabilities of Low-Spin d6 cis- and trans-[M(en)2X2]+ Complexes (M = Co, Rh, Ir): Steric and Electronic Effects in the Context of the Structural Trans Influence
Amaro, Noel A, Ammerman, Keith R, Boland, Devon J, Bork, Cory J, Davis, Justin V, Haskell, Daniel W, Hoeksema, Carolynn, Juskevice, Stacy J, Obrycki, Kaleigh M, Pacheco, Gardenia, Padilla, Nevin, Rasmussen, Rebecca A, Riggins-Walker, Taylor R, Sattar, Zohra S, Skrypai, Yana, Hoerchler, Katarzyna B, De Lio, Ashley M, Gilbert, Thomas M
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (28.03.2019)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (28.03.2019)
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Journal Article
Computational Studies of Relative Stabilities of Low-Spin d 6 cis- and trans-[M(en) 2 X 2 ] + Complexes (M = Co, Rh, Ir): Steric and Electronic Effects in the Context of the Structural Trans Influence
Amaro, Noel A, Ammerman, Keith R, Boland, Devon J, Bork, Cory J, Davis, Justin V, Haskell, Daniel W, Hoeksema, Carolynn, Juskevice, Stacy J, Obrycki, Kaleigh M, Pacheco, Gardenia, Padilla, Nevin, Rasmussen, Rebecca A, Riggins-Walker, Taylor R, Sattar, Zohra S, Skrypai, Yana, Hoerchler, Katarzyna B, De Lio, Ashley M, Gilbert, Thomas M
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (28.03.2019)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (28.03.2019)
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Journal Article
The Impact of Local Environment on Simulated Metabolite Conformations
Rickard, Meredith, De Lio, Ashley M., Pogorelov, Taras V.
Published in Biophysical journal (12.02.2021)
Published in Biophysical journal (12.02.2021)
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Journal Article
Medin - Membrane interactions: Cleavage, Binding, and Aggregation
Lio, Ashley M. De, Lee, Andrew S., Middleton, David, Pogorelov, Taras V.
Published in Biophysical journal (12.02.2021)
Published in Biophysical journal (12.02.2021)
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Journal Article
Charge Drives Initiation and Regulation of Blood Coagulation Cascade: Ions and Proteins
De Lio, Ashley M., Jain, Riya, Paul, Divyani, Morrissey, James H., Pogorelov, Taras V.
Published in Biophysical journal (07.02.2020)
Published in Biophysical journal (07.02.2020)
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Journal Article
Describing Antifungal Drug-Sterol Interactions Inside the Membrane: The Role of Dynamics
Cheng, Kevin J., Lio, Ashley M. De, Lewandowska, Agnieszka, Soutar, Corinne P., Burke, Martin D., Rienstra, Chad M., Pogorelov, Taras V.
Published in Biophysical journal (12.02.2021)
Published in Biophysical journal (12.02.2021)
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Journal Article
Sterol Interactions with Amphotericin Sponge: Dynamics Drive Affinity
Cheng, Kevin J., De Lio, Ashley M., Lewandowska, Agnieszka, Della Ripa, Lisa, Burke, Martin D., Rienstra, Chad M., Pogorelov, Taras V.
Published in Biophysical journal (07.02.2020)
Published in Biophysical journal (07.02.2020)
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Journal Article
A Semi-homodesmotic Approach for Estimating Ring Strain Energies (RSEs) of Highly Substituted Cyclopropanes That Minimizes Use of Acyclic References and Cancels Steric Interactions: RSEs for c -C 3 R 6 that Make Sense
De Lio, Ashley M., Durfey, Bridget L., Gille, Austin L., Gilbert, Thomas M.
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (07.08.2014)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (07.08.2014)
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Journal Article
A Semi-homodesmotic Approach for Estimating Ring Strain Energies (RSEs) of Highly Substituted Cyclopropanes That Minimizes Use of Acyclic References and Cancels Steric Interactions: RSEs for c-C sub(3)R sub(6) that Make Sense
De Lio, Ashley M, Durfey, Bridget L, Gille, Austin L, Gilbert, Thomas M
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (07.08.2014)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (07.08.2014)
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Journal Article