Human breast cancer metastases to the brain display GABAergic properties in the neural niche

Josh Neman, John Termini, Sharon P. Wilczynski, +7

Proceedings of the National Academy of Sciences

Ligand-Stabilized Conformational States of Human β2 Adrenergic Receptor: Insight into G-Protein-Coupled Receptor Activation

S. Bhattacharya, Spencer E. Hall, Hubert Li, +1

Biophysical Journal

Molecular PharmacologyMolecular PhysiologySignal TransductionBiochemistryG Protein-coupled Receptor +8

Benchmarking Refined and Unrefined AlphaFold2 Structures for Hit Discovery

Yuqi Zhang, Márton Vass, Da Shi, +11

Journal of Chemical Information and Modeling

Cooperation of neurotrophin receptor TrkB and Her2 in breast cancer cells facilitates brain metastases

Cecilia Choy, Khairul I. Ansari, Josh Neman, +5

Breast Cancer Research

Identification of Anti-Malarial Compounds as Novel Antagonists to Chemokine Receptor CXCR4 in Pancreatic Cancer Cells

Joseph Kim, M.L. Richard Yip, Xiaoming Shen, +7

PLoS ONE

Chemoprevention StrategyCxcr4-mediated SignalingImmunologyPancreatic Cancer CellsTumor Biology +14

Small molecule chemokine mimetics suggest a molecular basis for the observation that CXCL10 and CXCL11 are allosteric ligands of CXCR3

Belinda Nedjai, Hubert Li, Ilana L. Stroke, +9

British Journal of Pharmacology

Benchmarking Refined and Unrefined AlphaFold2 Structures for Hit Discovery

Yuqi Zhang, Marton Vass, Da Shi, +11

Hit IdentificationStructural BioinformaticsBenchmarking RefinedMolecular BiologyVirtual Screening Performance +18

EPHA2 mutations with oncogenic characteristics in squamous cell lung cancer and malignant pleural mesothelioma

Yi‐Hung Carol Tan, Saumya Srivastava, Brian Won, +13

Oncogenesis

Computational Method To Identify Druggable Binding Sites That Target Protein–Protein Interactions

Hubert Li, Vinod Kasam, Christofer S. Tautermann, +2

Journal of Chemical Information and Modeling

Drug TargetMolecular BiologyHigh DensityProtein FoldingMolecular Recognition +19

Critical analysis of the successes and failures of homology models of G protein‐coupled receptors

S. Bhattacharya, Alfonso Lam, Hubert Li, +3

Proteins Structure Function and Bioinformatics

Homology ModelsDrug TargetMolecular PhysiologySignal TransductionGpcr Homology Models +13