Pages that link to "Q37644156"

The following pages link to Implementation of the Hungarian algorithm to account for ligand symmetry and similarity in structure-based design (Q37644156):

Displaying 18 items.

• Pharmacophore-based similarity scoring for DOCK (Q35013407) (← links)
• Challenges, applications, and recent advances of protein-ligand docking in structure-based drug design. (Q35206344) (← links)
• DOCK 6: Impact of new features and current docking performance (Q35748554) (← links)
• Vinardo: A Scoring Function Based on Autodock Vina Improves Scoring, Docking, and Virtual Screening (Q36015308) (← links)
• Structure-based identification of inhibitors targeting obstruction of the HIVgp41 N-heptad repeat trimer. (Q40180218) (← links)
• Testing inhomogeneous solvation theory in structure-based ligand discovery (Q41476961) (← links)
• Assessing the similarity of ligand binding conformations with the Contact Mode Score (Q41638503) (← links)
• Customizable de novo design strategies for DOCK: Application to HIVgp41 and other therapeutic targets. (Q41931663) (← links)
• The Antinociceptive Agent SBFI-26 Binds to Anandamide Transporters FABP5 and FABP7 at Two Different Sites (Q47794981) (← links)
• Diversity of Nicotinic Acetylcholine Receptor Positive Allosteric Modulators Revealed by Mutagenesis and a Revised Structural Model. (Q49355412) (← links)
• Identification of Ebola Virus Inhibitors Targeting GP2 using Principles of Molecular Mimicry (Q64359309) (← links)
• Identification of a Water-Coordinating HER2 Inhibitor by Virtual Screening Using Similarity-Based Scoring (Q89429512) (← links)
• Identification of Fatty Acid Binding Protein 5 Inhibitors Through Similarity-Based Screening (Q90189700) (← links)
• Incorporating Explicit Water Molecules and Ligand Conformation Stability in Machine-Learning Scoring Functions (Q90871426) (← links)
• Improved algorithms for quantifying the near symmetry of proteins: complete side chains analysis (Q92576050) (← links)
• DockRMSD: an open-source tool for atom mapping and RMSD calculation of symmetric molecules through graph isomorphism (Q92597274) (← links)
• Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking (Q107980420) (← links)
• spyrmsd: symmetry-corrected RMSD calculations in Python (Q113241747) (← links)