Importance of Three-Body Problems and Protein–Protein Interactions in Proteolysis-Targeting Chimera Modeling: Insights from Molecular Dynamics Simulations

Rationalizing PROTAC-Mediated Ternary Complex Formation Using Rosetta

(2021) Nan Bai et al.   Journal of Chemical Information and Modeling

Native Mass Spectrometry for the Study of PROTAC GNE‐987‐Containing Ternary Complexes

(2021) Louise M. Sternicki et al.   ChemMedChem

Targeted protein degraders crowd into the clinic

(2021) Asher Mullard   NATURE REVIEWS DRUG DISCOVERY

Integrative Modeling of PROTAC-Mediated Ternary Complexes

(2021) Gaoqi Weng et al.   JOURNAL OF MEDICINAL CHEMISTRY

Proteolysis‐targeting chimeras in drug development: A safety perspective

(2020) Kevin Moreau et al.   BRITISH JOURNAL OF PHARMACOLOGY

Exploring the Ubiquitin-Proteasome System (UPS) through PROTAC Technology

(2020) Carlotta Cecchini et al.   CHIMIA

Lysosome-targeting chimaeras for degradation of extracellular proteins

(2020) Steven M. Banik et al.   NATURE

The CDK inhibitor CR8 acts as a molecular glue degrader that depletes cyclin K

(2020) Mikołaj Słabicki et al.   NATURE

PRosettaC: Rosetta Based Modeling of PROTAC Mediated Ternary Complexes

(2020) Daniel Zaidman et al.   Journal of Chemical Information and Modeling

Improved Accuracy for Modeling PROTAC-Mediated Ternary Complex Formation and Targeted Protein Degradation via New In Silico Methodologies

(2020) Michael L. Drummond et al.   Journal of Chemical Information and Modeling

PROTAC-DB: an online database of PROTACs

(2020) Gaoqi Weng et al.   NUCLEIC ACIDS RESEARCH

Mapping the Degradable Kinome Provides a Resource for Expedited Degrader Development

(2020) Katherine A. Donovan et al.   CELL

Proteolysis targeting chimera (PROTAC) in drug discovery paradigm: Recent progress and future challenges

(2020) Shenxin Zeng et al.   EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY

Snapshots and ensembles of BTK and cIAP1 protein degrader ternary complexes

(2020) James Schiemer et al.   Nature Chemical Biology

In Silico Modeling of PROTAC-Mediated Ternary Complexes: Validation and Application

(2019) Michael L. Drummond et al.   Journal of Chemical Information and Modeling

SPR-Measured Dissociation Kinetics of PROTAC Ternary Complexes Influence Target Degradation Rate

(2019) Michael J. Roy et al.   ACS Chemical Biology

A comparative multivariate analysis of nitrilase enzymes: an ensemble based computational approach

(2019) Priya Kumari et al.   COMPUTATIONAL BIOLOGY AND CHEMISTRY

Targeted protein degradation: elements of PROTAC design

(2019) Stacey-Lynn Paiva et al.   CURRENT OPINION IN CHEMICAL BIOLOGY

BAF complex vulnerabilities in cancer demonstrated via structure-based PROTAC design

(2019) William Farnaby et al.   Nature Chemical Biology

Allele-selective lowering of mutant HTT protein by HTT–LC3 linker compounds

(2019) Zhaoyang Li et al.   NATURE

Structure-Based Design of a Macrocyclic PROTAC

(2019) Andrea Testa et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Plasticity in binding confers selectivity in ligand-induced protein degradation

(2018) Radosław P. Nowak et al.   Nature Chemical Biology

Effect of sampling on BACE-1 ligands binding free energy predictions via MM-PBSA calculations

(2017) Nicolas Chéron et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Impact of Target Warhead and Linkage Vector on Inducing Protein Degradation: Comparison of Bromodomain and Extra-Terminal (BET) Degraders Derived from Triazolodiazepine (JQ1) and Tetrahydroquinoline (I-BET726) BET Inhibitor Scaffolds

(2017) Kwok-Ho Chan et al.   JOURNAL OF MEDICINAL CHEMISTRY

Structural basis of PROTAC cooperative recognition for selective protein degradation

(2017) Morgan S Gadd et al.   Nature Chemical Biology

Binding affinities by alchemical perturbation using QM/MM with a large QM system and polarizable MM model

(2015) Samuel Genheden et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

BET Inhibition Silences Expression of MYCN and BCL2 and Induces Cytotoxicity in Neuroblastoma Tumor Models

(2013) Anastasia Wyce et al.   PLoS One

Exploring PHD Fingers and H3K4me0 Interactions with Molecular Dynamics Simulations and Binding Free Energy Calculations: AIRE-PHD1, a Comparative Study

(2012) Dimitrios Spiliotopoulos et al.   PLoS One

Selective inhibition of BET bromodomains

(2010) Panagis Filippakopoulos et al.   NATURE