Publications by authors named "Victoria Feher"

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Structure-Based Discovery and Development of Highly Potent Dihydroorotate Dehydrogenase Inhibitors for Malaria Chemoprevention.
Zhe Nie, Roger Bonnert, Jet Tsien, Xiaoyi Deng, Christopher Higgs, Victoria Feher

J Med Chem· January 2025

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In Vitro and In Vivo Inhibition of the Phosphopantetheinyl Transferase PptT by Amidinoureas.
Samantha Ottavi, Sarah M Scarry, John Mosior, Yan Ling, Julia Roberts, Victoria A Feher

J Med Chem· February 2022

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Continuous Evaluation of Ligand Protein Predictions: A Weekly Community Challenge for Drug Docking.
Jeffrey R Wagner, Christopher P Churas, Shuai Liu, Robert V Swift, Michael Chiu, Victoria A Feher

Structure· August 2019

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Mechanisms for Benzene Dissociation through the Excited State of T4 Lysozyme L99A Mutant.
Victoria A Feher, Jamie M Schiffer, Daniel J Mermelstein, Nathan Mih, Levi C T Pierce

Biophys J· January 2019

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The Role of Bridging Water and Hydrogen Bonding as Key Determinants of Noncovalent Protein-Carbohydrate Recognition.
Anatoly M Ruvinsky, Ishita Aloni, Daniel Cappel, Chris Higgs, Kyle Marshall, Victoria A Feher

ChemMedChem· December 2018

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D3R Grand Challenge 2: blind prediction of protein-ligand poses, affinity rankings, and relative binding free energies.
Zied Gaieb, Shuai Liu, Symon Gathiaka, Michael Chiu, Huanwang Yang, Victoria A Feher

J Comput Aided Mol Des· January 2018

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Structure-based design and SAR development of 5,6-dihydroimidazolo[1,5-f]pteridine derivatives as novel Polo-like kinase-1 inhibitors.
Andre Kiryanov, Srinivasa Natala, Benjamin Jones, Christopher McBride, Victoria Feher

Bioorg Med Chem Lett· March 2017

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Discovery of TAK-659 an orally available investigational inhibitor of Spleen Tyrosine Kinase (SYK).
Betty Lam, Yasuyoshi Arikawa, Joshua Cramlett, Qing Dong, Ron de Jong, Victoria Feher

Bioorg Med Chem Lett· December 2016

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Capturing Invisible Motions in the Transition from Ground to Rare Excited States of T4 Lysozyme L99A.
Jamie M Schiffer, Victoria A Feher, Robert D Malmstrom, Roxana Sida, Rommie E Amaro

Biophys J· October 2016

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D3R grand challenge 2015: Evaluation of protein-ligand pose and affinity predictions.
Symon Gathiaka, Shuai Liu, Michael Chiu, Huanwang Yang, Jeanne A Stuckey, Victoria A Feher

J Comput Aided Mol Des· September 2016

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Emerging Computational Methods for the Rational Discovery of Allosteric Drugs.
Jeffrey R Wagner, Christopher T Lee, Jacob D Durrant, Robert D Malmstrom, Victoria A Feher

Chem Rev· June 2016

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Outcome of the First wwPDB/CCDC/D3R Ligand Validation Workshop.
Paul D Adams, Kathleen Aertgeerts, Cary Bauer, Jeffrey A Bell, Helen M Berman, Victoria A Feher

Structure· April 2016

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Gaussian Accelerated Molecular Dynamics: Unconstrained Enhanced Sampling and Free Energy Calculation.
Yinglong Miao, Victoria A Feher, J Andrew McCammon

J Chem Theory Comput· August 2015

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Molecular docking to flexible targets.
Jesper Sørensen, Özlem Demir, Robert V Swift, Victoria A Feher, Rommie E Amaro

Methods Mol Biol· June 2015

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Computational approaches to mapping allosteric pathways.
Victoria A Feher, Jacob D Durrant, Adam T Van Wart, Rommie E Amaro

Curr Opin Struct Biol· April 2014

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A 3-dimensional trimeric β-barrel model for Chlamydia MOMP contains conserved and novel elements of Gram-negative bacterial porins.
Victoria A Feher, Arlo Randall, Pierre Baldi, Robin M Bush, Luis M de la Maza

PLoS One· March 2014

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Computation-guided discovery of influenza endonuclease inhibitors.
Eric Chen, Robert V Swift, Nazilla Alderson, Victoria A Feher, Gen-Sheng Feng

ACS Med Chem Lett· January 2014

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Discovery of TAK-960: an orally available small molecule inhibitor of polo-like kinase 1 (PLK1).
Zhe Nie, Victoria Feher, Srinivasa Natala, Christopher McBride, Andre Kiryanov

Bioorg Med Chem Lett· June 2013

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Structural characterisation of Tpx from Yersinia pseudotuberculosis reveals insights into the binding of salicylidene acylhydrazide compounds.
Mads Gabrielsen, Katherine S H Beckham, Victoria A Feher, Caroline E Zetterström, Dai Wang

PLoS One· August 2012

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Structure-based design and synthesis of pyrrole derivatives as MEK inhibitors.
Michael B Wallace, Mark E Adams, Toufike Kanouni, Clifford D Mol, Douglas R Dougan, Victoria A Feher

Bioorg Med Chem Lett· July 2010

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Structure-based design, synthesis, and antimicrobial activity of purine derived SAH/MTA nucleosidase inhibitors.
Martina E Tedder, Zhe Nie, Stephen Margosiak, Shaosong Chu, Victoria A Feher

Bioorg Med Chem Lett· June 2004

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Structure-based design, synthesis, and antimicrobial activity of indazole-derived SAH/MTA nucleosidase inhibitors.
Xiaoming Li, Sam Chu, Victoria A Feher, Mitra Khalili, Zhe Nie

J Med Chem· December 2003

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Application of NMR SHAPES screening to an RNA target.
Eric C Johnson, Victoria A Feher, Jeffrey W Peng, Jonathan M Moore, James R Williamson

J Am Chem Soc· December 2003

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