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The PROTACtable genome

Nature reviews. Drug discovery, 2021-10, Vol.20 (10), p.789-797

2021

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Delineating the role of cooperativity in the design of potent PROTACs for BTK

Proceedings of the National Academy of Sciences - PNAS, 2018-07, Vol.115 (31), p.E7285-E7292

2018

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Thermodynamic analysis of water molecules at the surface of proteins and applications to binding site prediction and characterization

Proteins, structure, function, and bioinformatics, 2012-03, Vol.80 (3), p.871-883

2012

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Chemical and Computational Methods for the Characterization of Covalent Reactive Groups for the Prospective Design of Irreversible Inhibitors

Journal of medicinal chemistry, 2014-12, Vol.57 (23), p.10072-10079

2014

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Absence of GP130 cytokine receptor signaling causes extended Stüve-Wiedemann syndrome

The Journal of experimental medicine, 2020-03, Vol.217 (3)

2020

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Structural basis for effectiveness of siderophore-conjugated monocarbams against clinically relevant strains of Pseudomonas aeruginosa

Proceedings of the National Academy of Sciences - PNAS, 2010-12, Vol.107 (51), p.22002-22007

2010

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The rise of targeting chimeras (TACs): next-generation medicines that preempt cellular events

Medicinal chemistry research, 2023-07, Vol.32 (7), p.1294-1314

2023

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Small molecule allosteric inhibitors of RORγt block Th17-dependent inflammation and associated gene expression in vivo

PloS one, 2021-11, Vol.16 (11), p.e0248034

2021

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Neighborhood-Based Prediction of Novel Active Compounds from SAR Matrices

Journal of chemical information and modeling, 2014-03, Vol.54 (3), p.801-809

2014

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Markov modeling reveals novel intracellular modulation of the human TREK-2 selectivity filter

Scientific reports, 2017-04, Vol.7 (1), p.632-632, Article 632

2017

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Non-traditional antibacterial screening approaches for the identification of novel inhibitors of the glyoxylate shunt in gram-negative pathogens

PloS one, 2012-12, Vol.7 (12), p.e51732

2012

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Assessment of the Consistency of Medicinal Chemists in Reviewing Sets of Compounds

Journal of medicinal chemistry, 2004-09, Vol.47 (20), p.4891-4896

2004

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Novel Methods for Prioritizing “Close-In” Analogs from Structure–Activity Relationship Matrices

Journal of chemical information and modeling, 2017-07, Vol.57 (7), p.1667-1676

2017

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Early Insights into the Interactions of Different β-Lactam Antibiotics and β-Lactamase Inhibitors against Soluble Forms of Acinetobacter baumannii PBP1a and Acinetobacter sp. PBP3

Antimicrobial Agents and Chemotherapy, 2012-11, Vol.56 (11), p.5687-5692

2012

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Development of an in silico model for human skin permeation based on a Franz cell skin permeability assay

Bioorganic & medicinal chemistry letters, 2010, Vol.20 (1), p.69-73

2010

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Virtual screening: are we there yet?

Mini reviews in medicinal chemistry, 2006-10, Vol.6 (10), p.1159-1167

2006

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On Ternary Complex Stability in Protein Degradation: In Silico Molecular Glue Binding Affinity Calculations

Journal of chemical information and modeling, 2023-04, Vol.63 (8), p.2382-2392

2023

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Investigation into MAO B-Mediated Formation of CC112273, a Major Circulating Metabolite of Ozanimod, in Humans and Preclinical Species: Stereospecific Oxidative Deamination of ( S )-Enantiomer of Indaneamine (RP101075) by MAO B

Drug metabolism and disposition, 2021-08, Vol.49 (8), p.601-609

2021

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Inducing protein-protein interactions with molecular glues

Bioorganic & medicinal chemistry letters, 2018-08, Vol.28 (15), p.2585-2592

2018

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Molecular similarity measures

Methods in molecular biology (Clifton, N.J.), 2011-01, Vol.672, p.39

2011

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Evaluation and Characterization of Trk Kinase Inhibitors for the Treatment of Pain: Reliable Binding Affinity Predictions from Theory and Computation

Journal of chemical information and modeling, 2017-04, Vol.57 (4), p.897-909

2017

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Identification of Small Molecule Inhibitors and Ligand Directed Degraders of Calcium/Calmodulin Dependent Protein Kinase Kinase 1 and 2 (CaMKK1/2)

Journal of medicinal chemistry, 2023-12, Vol.66 (23), p.15750-15760

2023

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Cyclic Peptide Design Guided by Residual Dipolar Couplings, J‑Couplings, and Intramolecular Hydrogen Bond Analysis

Journal of organic chemistry, 2019-04, Vol.84 (8), p.4803-4813

2019

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Molecular Basis for Inhibition of the Na+/Citrate Transporter NaCT (SLC13A5) by Dicarboxylate Inhibitors

Molecular pharmacology, 2016-12, Vol.90 (6), p.755-765

2016

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The PROTACtable genome

Delineating the role of cooperativity in the design of potent PROTACs for BTK

Thermodynamic analysis of water molecules at the surface of proteins and applications to binding site prediction and characterization

Chemical and Computational Methods for the Characterization of Covalent Reactive Groups for the Prospective Design of Irreversible Inhibitors

Absence of GP130 cytokine receptor signaling causes extended Stüve-Wiedemann syndrome

Structural basis for effectiveness of siderophore-conjugated monocarbams against clinically relevant strains of Pseudomonas aeruginosa

The rise of targeting chimeras (TACs): next-generation medicines that preempt cellular events

Small molecule allosteric inhibitors of RORγt block Th17-dependent inflammation and associated gene expression in vivo

Neighborhood-Based Prediction of Novel Active Compounds from SAR Matrices

Markov modeling reveals novel intracellular modulation of the human TREK-2 selectivity filter

Non-traditional antibacterial screening approaches for the identification of novel inhibitors of the glyoxylate shunt in gram-negative pathogens

Assessment of the Consistency of Medicinal Chemists in Reviewing Sets of Compounds

Novel Methods for Prioritizing “Close-In” Analogs from Structure–Activity Relationship Matrices

Early Insights into the Interactions of Different β-Lactam Antibiotics and β-Lactamase Inhibitors against Soluble Forms of Acinetobacter baumannii PBP1a and Acinetobacter sp. PBP3

Development of an in silico model for human skin permeation based on a Franz cell skin permeability assay

Virtual screening: are we there yet?

On Ternary Complex Stability in Protein Degradation: In Silico Molecular Glue Binding Affinity Calculations

Investigation into MAO B-Mediated Formation of CC112273, a Major Circulating Metabolite of Ozanimod, in Humans and Preclinical Species: Stereospecific Oxidative Deamination of ( S )-Enantiomer of Indaneamine (RP101075) by MAO B

Inducing protein-protein interactions with molecular glues

Molecular similarity measures

Rational Design and Synthesis of 4-((1R,2R)-2-Hydroxycyclohexyl)-2(trifluoromethyl)benzonitrile (PF-998425), a Novel, Nonsteroidal Androgen Receptor Antagonist Devoid of Phototoxicity for Dermatological Indications

Evaluation and Characterization of Trk Kinase Inhibitors for the Treatment of Pain: Reliable Binding Affinity Predictions from Theory and Computation

Identification of Small Molecule Inhibitors and Ligand Directed Degraders of Calcium/Calmodulin Dependent Protein Kinase Kinase 1 and 2 (CaMKK1/2)

Cyclic Peptide Design Guided by Residual Dipolar Couplings, J‑Couplings, and Intramolecular Hydrogen Bond Analysis

Molecular Basis for Inhibition of the Na+/Citrate Transporter NaCT (SLC13A5) by Dicarboxylate Inhibitors

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