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Science & Technology

Publications

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Nature Chemistry

Dynamic undocking and the quasi-bound state as tools for drug discovery

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Journal of Chemical Information and Modeling

Molecular Dynamics in Mixed Solvents Reveals Protein-Ligand Interactions, Improves Docking, and Allows Accurate Binding Free Energy Predictions

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Open Access

rDock: a fast, versatile and open source program for docking ligands to proteins and nucleic acids

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Journal of Chemical Theory and Computation

Relationship between Protein Flexibility and Binding: Lessons for Structure-Based Drug Design

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Journal of Medicinal Chemistry

Molecular simulations with solvent competition quantify water displaceability and provide accurate interaction maps of protein binding sites

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Journal of Medicinal Chemistry

Binding site detection and druggability index from first principles

Posters

XXVII World Congress on Parkinson’s Disease and Related Disorders

GT-02287, a Brain-Penetrant Structurally Targeted Allosteric Regulator for Glucocerebrosidase Shows Evidence of Pharmacological Efficacy in Models of Parkinson’s Disease

2022 SYNUCLEIN MEETING

Targeting glucocerebrosidase with structurally targeted allosteric regulators corrects abnormal phenotypes in models of Parkinson’s disease

2022 GLYCOLIPID AND SPHINGOLIPID BIOLOGY GRC

Structurally targeted allosteric regulators show promising therapeutic effect in Gaucher Disease cortical neurons

AD/PD™ 2022​ International Conference on Alzheimer's and Parkinson's Diseases.

Brain-penetrant structurally targeted allosteric regulators for glucocerebrosidase (GCase) show promising pharmacological activity in models of neurodegenerative diseases

18th Annual WORLDSymposium on lysosomal disease research

Development of structurally targeted allosteric regulators for the treatment of neuronopathic Gaucher disease

World Congress on Parkinson’s Disease and Related Disorders 2021

Preclinical development of brain-penetrant structurally targeted allosteric regulators for the treatment of GBA1 Parkinson’s disease and related alpha-synucleopathies.

WORLDSymposium 2021

Insights into the mechanism of action of structurally targeted allosteric regulators for the treatment of Gaucher disease

WORLDSymposium 2021

Preclinical development of brain-penetrant structurally targeted allosteric regulators for the treatment of neuronopathic Gaucher disease

WORLDSymposium 2021

Insights into the mechanism of action of structurally targeted allosteric regulators for the treatment of GLB1-related disorders

Keystone Symposia 2020 - Brain Therapeutics

Correcting protein misfolding with Structurally Targeted Allosteric Regulators: Applications in rare diseases and brain therapeutics

WorldSymposium 2020

Allosteric regulators improving biodistribution of recombinant laronidase in Mucopolysaccharidosis type 1 (MPS1)

WorldSymposium 2020

Brain Penetrant Structurally Targeted Allosteric Regulators for Treating GLB1-Related Disorders

WorldSymposium 2019

Non-competitive pharmacological chaperones for treating GBA-related diseases

Synuclein Meeting 2019

Brain penetrant structurally targeted allosteric regulators for treating Parkinson disease and other α-synucleinopathies