Publications by authors named "Olaf Wiest"

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Rapid FF Generation via Hessian-Informed Initial Parameters and Automated Refinement.
Mikaela Farrugia, Paul Helquist, Per-Ola Norrby, Olaf Wiest

J Chem Theory Comput· December 2025

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Conformation Dependent Features of Bisphosphine Ligands.
Brock A Stenfors, Jamie A Cadge, Santeri Aikonen, Guilian Luchini, Jessica Wahlers, Olaf Wiest

J Org Chem· October 2025

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Variants of the Ebola virus matrix protein VP40 have differential effects on oligomerization and plasma membrane interactions.
Balindile B Motsa, Barsha Bhowal, Yogesh B Narkhede, Ukesh Karki, Valentina Toro Ramirez, Olaf Wiest

J Biol Chem· September 2025

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Synthesis of Caged HMG-CoA Reductase Substrates for the Elucidation of Cellular Pathways.
Ryan J O'Connell, Nicholas J Dolphin, Guillermo Ferraudi, Mijoon Lee, Cynthia V Stauffacher, Olaf Wiest

J Org Chem· December 2024

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Finding Relevant Retrosynthetic Disconnections for Stereocontrolled Reactions.
Olaf Wiest, Christoph Bauer, Paul Helquist, Per-Ola Norrby, Samuel Genheden

J Chem Inf Model· August 2024

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Mutant induced neurons and humanized mice enable identification of Niemann-Pick type C1 proteostatic therapies.
Ruth D Azaria, Adele B Correia, Kylie J Schache, Manuela Zapata, Koralege C Pathmasiri, Olaf Wiest

JCI Insight· August 2024

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Data-Efficient, Chemistry-Aware Machine Learning Predictions of Diels-Alder Reaction Outcomes.
Angus Keto, Taicheng Guo, Morgan Underdue, Thijs Stuyver, Connor W Coley, Olaf Wiest

J Am Chem Soc· June 2024

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Development of phenyl-urea-based small molecules that target penicillin-binding protein 4.
Vijay S Gondil, Hailey S Butman, Mikaeel Young, Danica J Walsh, Yogesh Narkhede, Olaf Wiest

Chem Biol Drug Des· June 2024

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Computational and experimental identification of keystone interactions in Ebola virus matrix protein VP40 dimer formation.
Yogesh Narkhede, Roopashi Saxena, Tej Sharma, Jacob P Conarty, Valentina Toro Ramirez, Olaf Wiest

Protein Sci· May 2024

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pH-dependent reaction triggering in PmHMGR crystals for time-resolved crystallography.
Vatsal Purohit, Calvin N Steussy, Anthony R Rosales, Chandra J Critchelow, Tim Schmidt, Olaf Wiest

Biophys J· March 2024

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A Proline-Squaraine Ligand Framework (Pro-SqEB) for Stereoselective Rhodium(II)-Catalyzed Cyclopropanations.
Emily P Bacher, Raïssa Twiringiyimana, Kevin X Rodriguez, Renita A Wilson, Alexandra K Bodnar, Olaf Wiest

Org Lett· November 2023

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Elucidating Residue-Level Determinants Affecting Dimerization of Ebola Virus Matrix Protein Using High-Throughput Site Saturation Mutagenesis and Biophysical Approaches.
Yogesh B Narkhede, Atul Bhardwaj, Balindile B Motsa, Roopashi Saxena, Tej Sharma, Olaf Wiest

J Phys Chem B· July 2023

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Computational Study of Base-Catalyzed Thiohemiacetal Decomposition in HMG-CoA Reductase.
Himani N Patel, Brandon E Haines, Cynthia V Stauffacher, Paul Helquist, Olaf Wiest

J Phys Chem B· June 2023

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Negative Data in Data Sets for Machine Learning Training.
Michael P Maloney, Connor W Coley, Samuel Genheden, Nessa Carson, Paul Helquist, Olaf Wiest

J Org Chem· May 2023

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Negative Data in Data Sets for Machine Learning Training.
Michael P Maloney, Connor W Coley, Samuel Genheden, Nessa Carson, Paul Helquist, Olaf Wiest

Org Lett· May 2023

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On the use of real-world datasets for reaction yield prediction.
Mandana Saebi, Bozhao Nan, John E Herr, Jessica Wahlers, Zhichun Guo, Olaf Wiest

Chem Sci· May 2023

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Targeting the chromatin effector Pygo2 promotes cytotoxic T cell responses and overcomes immunotherapy resistance in prostate cancer.
Yini Zhu, Yun Zhao, Jiling Wen, Sheng Liu, Tianhe Huang, Olaf Wiest

Sci Immunol· March 2023

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A Quantum-Guided Molecular Mechanics Force Field for the Ferrocene Scaffold.
Jessica Wahlers, Anthony R Rosales, Neil Berkel, Aaron Forbes, Paul Helquist, Olaf Wiest

J Org Chem· September 2022

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Automated fitting of transition state force fields for biomolecular simulations.
Taylor R Quinn, Himani N Patel, Kevin H Koh, Brandon E Haines, Per-Ola Norrby, Olaf Wiest

PLoS One· April 2022

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HSP90 inhibitors reduce cholesterol storage in Niemann-Pick type C1 mutant fibroblasts.
Nina H Pipalia, Syed Z Saad, Kanagaraj Subramanian, Abigail Cross, Aisha Al-Motawa, Olaf Wiest

J Lipid Res· March 2022

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EP300 Selectively Controls the Enhancer Landscape of MYCN-Amplified Neuroblastoma.
Adam D Durbin, Tingjian Wang, Virangika K Wimalasena, Mark W Zimmerman, Deyao Li, Olaf Wiest

Cancer Discov· March 2022

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Rational Design and Identification of Harmine-Inspired, N-Heterocyclic DYRK1A Inhibitors Employing a Functional Genomic In Vivo Drosophila Model System.
Francisco J Huizar, Harrison M Hill, Emily P Bacher, Kaitlyn E Eckert, Eva M Gulotty, Olaf Wiest

ChemMedChem· February 2022

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Strategic elements in computer-assisted retrosynthesis: A case study of the pupukeanane natural products.
Melissa A Hardy, Bozhao Nan, Olaf Wiest, Richmond Sarpong

Tetrahedron· January 2022

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Proofreading experimentally assigned stereochemistry through Q2MM predictions in Pd-catalyzed allylic aminations.
Jessica Wahlers, Jèssica Margalef, Eric Hansen, Armita Bayesteh, Paul Helquist, Olaf Wiest

Nat Commun· November 2021

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Production of Proteins of the SARS-CoV-2 Proteome for Drug Discovery.
Choon Kim, Kiran V Mahasenan, Atul Bhardwaj, Olaf Wiest, Mayland Chang

ACS Omega· August 2021

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