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List of works by Olaf Wiest

2-Hydroxypropyl-β-cyclodextrin is the active component in a triple combination formulation for treatment of Niemann-Pick C1 disease

scientific article published on 30 April 2019

A computational study of expanded heterocyclic nucleosides in DNA.

scientific article published on December 2008

A molecular mechanism of artemisinin resistance in Plasmodium falciparum malaria

scientific article (publication date: 30 April 2015)

A selective, noncovalent assay for base flipping in DNA.

scientific article published in December 2005

A theoretical study on the trans-addition intramolecular hydroacylation of 4-alkynals catalyzed by cationic rhodium complexes

scientific article published on 7 March 2008

Acyclic or long-bond intermediate in the electron-transfer-catalyzed dimerization of 4-methoxystyrene

scientific article published on 01 November 2006

An efficient synthesis of (+/-)-trichostatic Acid and analogues: a new route to (+/-)-trichostatin A.

scientific article published in February 2010

Anomeric Effects in Sulfamides.

scientific article

Application of Large Language Models in Chemistry Reaction Data Extraction and Cleaning

scientific article published on 20 October 2024

Application of Q2MM to predictions in stereoselective synthesis

scholarly article by Anthony R Rosales et al published 24 July 2018 in Chemical Communications

Are we Making Much Progress? Revisiting Chemical Reaction Yield Prediction from an Imbalanced Regression Perspective

scientific article published on 12 May 2024

Base flipping of the thymine dimer in duplex DNA

scientific article published on 15 September 2007

Chemical genomics reveals histone deacetylases are required for core regulatory transcription

scientific article published on 08 July 2019

Chemistry. Striking a balance to control stereochemistry

scientific article published on 01 September 2011

Comparative genome-scale metabolic reconstruction and flux balance analysis of multiple Staphylococcus aureus genomes identify novel antimicrobial drug targets

scientific article (publication date: June 2009)

Computational Studies on the Mechanism of the Copper-Catalyzed sp3 -CH Cross-Dehydrogenative Coupling Reaction

scientific article published on 21 June 2013

Computational exploration of zinc binding groups for HDAC inhibition

scientific article

Computational studies of DNA photolyase

scientific article published on August 2005

Computational studies of the cholesterol transport between NPC2 and the N-terminal domain of NPC1 (NPC1(NTD))

scientific article published on 19 September 2013

Conformational and SAR analysis of NAALADase and PSMA inhibitors

scientific article published on October 2003

Crystal structure of the human B-form low molecular weight phosphotyrosyl phosphatase at 1.6-A resolution

scientific article

Design and synthesis of a crosslinker for studying intracellular steroid trafficking pathways

scientific article published on 27 March 2015

Design, Synthesis, and Evaluation of a Luminescent Cholesterol Mimic

scientific article published on 28 December 2020

Design, synthesis, and evaluation of a biomimetic artificial photolyase model.

scientific article

Development of a Q2MM Force Field for the Asymmetric Rhodium Catalyzed Hydrogenation of Enamides

scientific article published on August 2008

Development of carbamate-tethered coumarins as phototriggers for caged nicotinamide

scientific article

Diastereoselective Synthesis of Highly Substituted Tetrahydrofurans by Pd-Catalyzed Tandem Oxidative Cyclization-Redox Relay Reactions Controlled by Intramolecular Hydrogen Bonding.

scientific article published on 22 December 2016

Diastereoselectivity in Lewis-Acid-Catalyzed Mukaiyama Aldol Reactions: A DFT Study ⬇️

scientific article published on August 31, 2012

Direct Visible-Light-Excited Asymmetric Lewis Acid Catalysis of Intermolecular [2+2] Photocycloadditions

scientific article published on 23 June 2017

Discovery of selective small-molecule HDAC6 inhibitor for overcoming proteasome inhibitor resistance in multiple myeloma

scientific article

EP300 Selectively Controls the Enhancer Landscape of MYCN-Amplified Neuroblastoma

scientific article published on 01 March 2022

Editorial for the Special Issue on Mechanisms in Metal-Based Organic Chemistry

article

Electron Transfer Catalyzed [2 + 2] Cycloreversion of Benzene Dimers

scientific article published on 01 April 1999

Enediynes in 11-membered rings. Synthesis, structure, and reactivity of highly strained but unusually stable macrocycles

scientific article published on 01 January 2002

Histone deacetylase inhibitor treatment dramatically reduces cholesterol accumulation in Niemann-Pick type C1 mutant human fibroblasts ⬇️

scientific article published on March 21, 2011

Hydrogenation catalyst generates cyclic peptide stereocentres in sequence

scientific article published on 30 July 2018

Identification of novel inhibitors for a low molecular weight protein tyrosine phosphatase via virtual screening

scientific article published on 21 April 2010

Identifying Ligand Binding Conformations of the β2-Adrenergic Receptor by Using Its Agonists as Computational Probes ⬇️

scientific article published on December 31, 2012

Incorporation of porphyrin acetylides into duplexes of the simplified nucleic acid GNA ⬇️

scientific article published on March 2, 2011

Inhibition and mechanism of HDAC8 revisited

scientific article

Inhibition of Histone Deacetylases 1, 2, and 3 Enhances Clearance of Cholesterol Accumulation in Niemann-Pick C1 Fibroblasts

scientific article published on 27 May 2021

Inhibition of histone deacetylases: a pharmacological approach to the treatment of non-cancer disorders.

scientific article published on January 2009

Inhibition studies with rationally designed inhibitors of the human low molecular weight protein tyrosine phosphatase

scientific article published in April 2004

Internal and external stereoisomers of squaraine rotaxane endoperoxide: synthesis, chemical differences, and structural revision

scientific article published on 01 February 2014

Intramolecular hydroamination of aminoalkynes with silver-phenanthroline catalysts

scientific article published on 29 July 2008

Investigating the nature of palladium chain-walking in the enantioselective redox-relay Heck reaction of alkenyl alcohols

scientific article

Investigation of N-aryl-3-alkylidenepyrrolinones as potential Niemann-Pick type C disease therapeutics

scientific article published on October 2009

Isotope effects and the mechanism of an electron-transfer-catalyzed Diels-Alder reaction

scientific article published in September 2002

Isotope effects on the enzymatic and nonenzymatic reactions of chorismate

scientific article published on September 2005

Ligand and substrate effects on the mechanism of rhodium-catalyzed hydrogenation of enamides

scientific article published on 01 February 2007

Mechanism and Selectivity in the Pd-Catalyzed Difunctionalization of Isoprene

scientific article

Mechanism of Hydroxyl Radical‐Induced Breakdown of the Herbicide 2,4‐Dichlorophenoxyacetic Acid (2,4‐D) ⬇️

scientific article published on November 7, 2003

Mechanism, reactivity, and selectivity in palladium-catalyzed redox-relay Heck arylations of alkenyl alcohols

scientific article published on 22 January 2014

Mechanistic pathways of the hydroxyl radical reactions of quinoline. 1. Identification, distribution, and yields of hydroxylated products

scientific article published in March 2005

Mechanistic pathways of the hydroxyl radical reactions of quinoline. 2. Computational analysis of hydroxyl radical attack at C atoms

scientific article published in March 2005

Metal-Templated Design: Enantioselective Hydrogen-Bond-Driven Catalysis Requiring Only Parts-per-Million Catalyst Loading

scientific article published on 23 June 2016

Methods and non-cancer applications of HDAC inhibition

scientific article published in January 2009

Methyl substituent effects in radical cation Diels-Alder reactions

scientific article published on 01 January 2007

Microsecond Timescale Simulations at the Transition State of PmHMGR Predict Remote Allosteric Residues

Mild and efficient desymmetrization of diynes via hydroamination: application to the synthesis of (+/-)-monomorine I.

scientific article published in February 2010

Modular synthesis and biological activity of pyridyl-based analogs of the potent Class I Histone Deacetylase Inhibitor Largazole

scientific article published on 31 March 2015

Molecular Analysis of Membrane Targeting by the C2 Domain of the E3 Ubiquitin Ligase Smurf1

scientific article published on 04 February 2020

Molecular modeling of the reaction pathway and hydride transfer reactions of HMG-CoA reductase.

scientific article

Ni-Catalyzed Alkenylation of Ketone Enolates under Mild Conditions: Catalyst Identification and Optimization

scientific article published on 29 May 2015

On the function of the 14 A long internal cavity of histone deacetylase-like protein: implications for the design of histone deacetylase inhibitors

scientific article

On the inhibition of histone deacetylase 8

scientific article published on 3 April 2010

On the mechanism of the palladium catalyzed intramolecular Pauson-Khand-type reaction

scientific article published on 01 July 2009

On the structure and dynamics of duplex GNA

scientific article

On the use of real-world datasets for reaction yield prediction

scientific article published in 2023

Palladium-Catalyzed Enantioselective Heck Alkenylation of Trisubstituted Allylic Alkenols: A Redox-Relay Strategy to Construct Vicinal Stereocenters

scientific article

Palladium-catalyzed alkenylation of ketone enolates under mild conditions

scientific article published on 17 July 2014

Parameterization and validation of solvation corrected atomic radii

scientific article published in October 2009

Predicting Nuclear Resonance Vibrational Spectra of [Fe(OEP)(NO)]

scientific article

Prediction of Stereochemistry using Q2MM.

scientific article

Prediction of enantioselectivity in rhodium catalyzed hydrogenations

scientific article

Protein dynamics and structural waters in bromodomains.

scientific article published on 27 October 2017

QSAR studies of PC-3 cell line inhibition activity of TSA and SAHA-like hydroxamic acids

scientific article published on February 2004

Quantitative comparison of the efficacy of various compounds in lowering intracellular cholesterol levels in Niemann-Pick type C fibroblasts

scientific article

Rate Enhancement and Enantioselectivity of the Jacobsen-Katsuki Epoxidation: The Significance of the Sixth Coordination Site

Rate Enhancement and Enantioselectivity of the Jacobsen-Katsuki Epoxidation: The Significance of the Sixth Coordination Site This work was made possible through generous allocation of computer resources by the OIT at Notre Dame, the National Computa

scientific article published on 01 June 2001

Regioselective Alkylation of Pyridinium Riboses

scientific article published on 04 December 2019

Relative reactivity of alkenyl alcohols in the palladium-catalyzed redox-relay Heck reaction.

scientific article

Residues in the 11 A channel of histone deacetylase 1 promote catalytic activity: implications for designing isoform-selective histone deacetylase inhibitors

scientific article published on 27 August 2008

SET-induced biaryl cross-coupling: an S(RN)1 reaction

scientific article published on 06 March 2014

Selective inhibition of BET bromodomains

scientific article

Selectivity in the electron transfer catalyzed Diels-Alder reaction of (R)-alpha-phellandrene and 4-methoxystyrene

scientific article

Sequence dependence in base flipping: experimental and computational studies

scientific article published on 13 December 2007

Single-Flask Multicomponent Palladium-Catalyzed α,γ-Coupling of Ketone Enolates: Facile Preparation of Complex Carbon Scaffolds

scientific article published on 14 August 2015

Single-Flask Multicomponent Synthesis of Highly Substituted α-Pyrones via a Sequential Enolate Arylation and Alkenylation Strategy

scientific article published on 21 October 2016

Stereoselectivity in (Acyloxy)borane-Catalyzed Mukaiyama Aldol Reactions

scientific article published on 13 June 2016

Stereoselectivity in Asymmetric Catalysis: The Case of Ruthenium-Catalyzed Ketone Hydrogenation

scientific article published in June 2014

Sterically crowded bicyclo[1.1.0]butane radical cations

scientific article published in May 2003

Structural origin of selectivity in class II-selective histone deacetylase inhibitors

scientific article published on 16 April 2008

Structure and dynamics of poly(T) single-strand DNA: implications toward CPD formation

scientific article published on 6 December 2007

Structure and reactivity of radical ions: new twists on old concepts

scientific article published on 01 September 2006

Structures and energetics of base flipping of the thymine dimer depend on DNA sequence

scientific article published on 12 March 2008

Synergy of combining sonolysis and photocatalysis in the degradation and mineralization of chlorinated aromatic compounds

scientific article published in May 2003

Syntheses of conformationally constricted molecules as potential NAALADase/PSMA inhibitors

scientific article published on 01 May 2004

Synthesis and HDAC inhibitory activity of isosteric thiazoline-oxazole largazole analogs

scientific article published on 18 June 2013

Synthesis and conformation-activity relationships of the peptide isosteres of FK228 and largazole

scientific article

Synthesis and histone deacetylase inhibitory activity of largazole analogs: alteration of the zinc-binding domain and macrocyclic scaffold

scientific article published on March 2009

Synthesis and modeling of new benzofuranone histone deacetylase inhibitors that stimulate tumor suppressor gene expression

scientific article published in May 2009

Synthesis and photochemical behavior of coumarin-caged cholesterol.

scientific article

Synthesis of 4-methyldienoates using a vinylogous Horner-Wadsworth-Emmons reagent. Application to the synthesis of trichostatic acid

scientific article published in March 2010

Synthesis of primary aryl amines through a copper-assisted aromatic substitution reaction with sodium azide

scientific article published on 01 July 2010

Synthesis, photophysical, photochemical, and computational studies of coumarin-labeled nicotinamide derivatives

scientific article published on 7 March 2012

Synthesis, structure, and metal complexation behavior of a new type of functionalized chiral phenanthroline derivative

scientific article published on 10 April 2008

The Vinylcyclopropane−Cyclopentene Rearrangement: A Prototype Thermal Rearrangement Involving Competing Diradical Concerted and Stepwise Mechanisms

scientific article published in 1997

The cytoplasmic prolyl-tRNA synthetase of the malaria parasite is a dual-stage target of febrifugine and its analogs

scientific article

The increasingly complex mechanism of HMG-CoA reductase.

scientific article published on 30 July 2013

Theoretical Studies of the Sulfenate-Sulfoxide Rearrangement

scientific article published on 01 August 1998

Thermodynamics of the Conversion of Chorismate to Prephenate: Experimental Results and Theoretical Predictions

article

Thiadiazole carbamates: potent inhibitors of lysosomal acid lipase and potential Niemann-Pick type C disease therapeutics

scientific article published on July 2010

Toward an artificial oxidative DNA photolyase

scientific article

Toward selective histone deacetylase inhibitor design: homology modeling, docking studies, and molecular dynamics simulations of human class I histone deacetylases

scientific article published on 01 November 2005

Transition State Force Field for the Asymmetric Redox Relay Heck Reaction

scientific article published on 05 April 2020

Treatment of Niemann--pick type C disease by histone deacetylase inhibitors.

scientific article

Ultrafast and ultraslow oxygen atom transfer reactions between late metal centers

scientific article published on 01 January 2007

Understanding Rate Acceleration and Stereoinduction of an Asymmetric Giese Reaction Mediated by a Chiral Rhodium Catalyst.

scientific article published on 31 May 2017

Unusually low barrier to carbamate C-N rotation

scientific article published in May 2002

Variable active site loop conformations accommodate the binding of macrocyclic largazole analogues to HDAC8

scientific article

Visible-Light-Activated Asymmetric β-C-H Functionalization of Acceptor-Substituted Ketones with 1,2-Dicarbonyl Compounds.

scientific article published on 21 November 2017

Zinc binding in HDAC inhibitors: a DFT study

scientific article published on 19 June 2007

pHP-Tethered N-Acyl Carbamate: A Photocage for Nicotinamide.

scientific article published on 13 April 2018

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