Antibodies Can Exploit Molecular Crowding to Bind New Antigens at Noncanonical Paratope Positions

Rapid, Precise, and Reproducible Prediction of Peptide–MHC Binding Affinities from Molecular Dynamics That Correlate Well with Experiment

(2015) Shunzhou Wan et al.   Journal of Chemical Theory and Computation

The Crystal Structure of Pneumolysin at 2.0 Å Resolution Reveals the Molecular Packing of the Pre-pore Complex

(2015) Jamie E. Marshall et al.   Scientific Reports

Ligand Mobility Regulates B Cell Receptor Clustering and Signaling Activation

(2014) Christina Ketchum et al.   BIOPHYSICAL JOURNAL

Improving Docking Results via Reranking of Ensembles of Ligand Poses in Multiple X-ray Protein Conformations with MM-GBSA

(2014) P. A. Greenidge et al.   Journal of Chemical Information and Modeling

Application of Docking and QM/MM-GBSA Rescoring to Screen for Novel Myt1 Kinase Inhibitors

(2014) Kanin Wichapong et al.   Journal of Chemical Information and Modeling

Application of a post-docking procedure based on MM-PBSA and MM-GBSA on single and multiple protein conformations

(2012) Miriam Sgobba et al.   EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY

MM/GBSA Binding Energy Prediction on the PDBbind Data Set: Successes, Failures, and Directions for Further Improvement

(2012) Paulette A. Greenidge et al.   Journal of Chemical Information and Modeling

Role of Packing Defects in the Evolution of Allostery and Induced Fit in Human UDP-Glucose Dehydrogenase

(2011) Renuka Kadirvelraj et al.   BIOCHEMISTRY

INTERACTION OF ANTIBODIES WITH AROMATIC LIGANDS: THE ROLE OF π-STACKING

(2010) VLADIMIR ARZHANIK et al.   Journal of Bioinformatics and Computational Biology

Ten commercial antibodies for alpha-1-adrenergic receptor subtypes are nonspecific

(2008) Brian C. Jensen et al.   NAUNYN-SCHMIEDEBERGS ARCHIVES OF PHARMACOLOGY

Activation of Growth Hormone Receptors by Growth Hormone and Growth Hormone Antagonist Dimers: Insights into Receptor Triggering

(2007) Ning Yang et al.   MOLECULAR ENDOCRINOLOGY