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Induced-Fit Docking Enables Accurate Free Energy Perturbation Calculations in Homology Models

Tianchuan Xu, Kai Zhu, Alexandre Beautrait, Jeremie Vendome, Kenneth Borrelli, Robert Abel, Richard Friesner, Edward Miller

Version 1 posted 15 April 2022

1,178

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3

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Organic Chemistry

Working Paper

Functionalization of Pt(IV)–Ammines Enables Site-Directed Covalent Modification of mRNA

Edward Miller, Charlotte E. Farquhar, Jacob Rodriguez, Andrei Loas, Bradley L. Pentelute

Version 1 posted 16 August 2024

194

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Catalysis

Working Paper

A Combined Kinetic and Computational Analysis of the Palladium-Catalysed Formylation of Aryl Bromides

Georgina Rai, Lee Edwards, Rebecca Greenaway, Philip Miller, Mark Crimmin, Katherine Wheelhouse

Version 1 posted 21 August 2024

340

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Analytical Chemistry

Working Paper

Investigating the Transfer of Drug Particulate onto Evidence Packaging During Routine Case Analysis

Edward Sisco, Elizabeth L. Robinson, Rebecca Mead, Charles R. Miller IV

Version 1 posted 31 August 2021

263

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Organic Chemistry

Working Paper

Synthesis and styrene copolymerization of novel halogen, methyl, and phenoxy ring-disubstituted tert-butyl phenylcyanoacrylates

Kelly M. Coogan, Abigail E. Edwards, Javier Lozano, Wania Mahmood, Elizabeth Miller, Maia A. Palomar, James M. Sibert, Hajira Syeda, Peter J. Werderitch III, Mimi R. Withington, Sara M. Schjerven, Nicholas M. Tassone, Gregory B. Kharas

Version 1 posted 11 July 2022

139

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Theoretical and Computational Chemistry

Working Paper

Benchmarking Refined and Unrefined AlphaFold2 Structures for Hit Discovery

Yuqi Zhang, Marton Vass, Da Shi, Esam Abualrous, Jenny Chambers, Nikita Chopra, Chris Higgs, Koushik Kasavajhala, Hubert Li, Prajwal Nandekar, Hideyuki Sato, Edward Miller, Matt Repasky, Steven Jerome

Version 2 posted 27 June 2022

2,760

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4

Citations

Organic Chemistry

Working Paper

Porphene and Porphite as Porphyrin Analogs of Graphene and Graphite

Thomas F. Magnera, Paul I. Dron, Jared P. Bozzone, Milena Jovanovic, Igor Roncevic, Edward Tortorici, Wei Bu, Elisa M. Miller, Charles Rogers, Josef Michl

Version 3 posted 17 August 2023

933

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Physical Chemistry

Working Paper

Reliable and Accurate Prediction of Single Residue pKa Values Through Free Energy Perturbation Calculations

Dilek Coskun, Wei Chen, Anthony Clark, Chao Lu, Edward Harder, Lingle Wang, Richard Friesner, Edward Miller

Version 1 posted 21 September 2022

536

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Analytical Chemistry

Working Paper

Comparing Two Seized Drug Workflows for the Analysis of Synthetic Cannabinoids, Cathinones, and Opioids

Edward Sisco, Amber Burns, Elizabeth Schneider, Charles R. Miller IV, Laurel Bobka

Version 1 posted 25 August 2021

588

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Biological and Medicinal Chemistry

Working Paper

An Activity-Based Oxaziridine Platform for Identifying and Developing Covalent Ligands for Functional Allosteric Methionine Sites: Redox-Dependent Inhibition of Cyclin-Dependent Kinase 4

Audrey Reeves, Angel Gonzalez-Valero, Patrick Moon, Edward Miller, Katia Coulonval, Steven Crossley, Xiao Xie, Dan He, Patricia Musacchio, Alec Christian, Jeffrey McKenna, Richard Lewis, Eric Fang, Dustin Dovala, Yipin Lu, Lynn McGregor, Markus Schirle, John Tallarico, Pierre Roger, F. Dean Toste, Christopher Chang

Version 1 posted 20 April 2022

1,031

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Refine Search

12 results in Edward Miller in Authors: Edward Miller

Induced-Fit Docking Enables Accurate Free Energy Perturbation Calculations in Homology Models

Functionalization of Pt(IV)–Ammines Enables Site-Directed Covalent Modification of mRNA

A Combined Kinetic and Computational Analysis of the Palladium-Catalysed Formylation of Aryl Bromides

Investigating the Transfer of Drug Particulate onto Evidence Packaging During Routine Case Analysis

Synthesis and styrene copolymerization of novel halogen, methyl, and phenoxy ring-disubstituted tert-butyl phenylcyanoacrylates

Benchmarking Refined and Unrefined AlphaFold2 Structures for Hit Discovery

Porphene and Porphite as Porphyrin Analogs of Graphene and Graphite

Reliable and Accurate Prediction of Single Residue pKa Values Through Free Energy Perturbation Calculations

Comparing Two Seized Drug Workflows for the Analysis of Synthetic Cannabinoids, Cathinones, and Opioids

An Activity-Based Oxaziridine Platform for Identifying and Developing Covalent Ligands for Functional Allosteric Methionine Sites: Redox-Dependent Inhibition of Cyclin-Dependent Kinase 4

12 results in Authors: Edward Miller