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Journal of Molecular Modeling|March 21, 2012
Insights from comprehensive multiple receptor docking to HDAC8Michael Brunsteiner, Pavel A PetukhovJournal of Medicinal Chemistry|March 14, 2008
5-tert-butyl-N-pyrazol-4-yl-4,5,6,7-tetrahydrobenzo[d]isoxazole-3-carboxamide derivatives as novel potent inhibitors of Mycobacterium tuberculosis pantothenate synthetase: initiating a quest for new antitubercular drugsSubash Velaparthi, Michael Brunsteiner, Reaz Uddin, et al.Journal of Medicinal Chemistry|May 10, 2011
Design, synthesis, docking, and biological evaluation of novel diazide-containing isoxazole- and pyrazole-based histone deacetylase probesRaghupathi Neelarapu, Denise L Holzle, Subash Velaparthi, et al.ACS Chemical Biology|September 10, 2013
Photoreactive "nanorulers" detect a novel conformation of full length HDAC3-SMRT complex in solutionHazem Abdelkarim, Michael Brunsteiner, Raghupathi Neelarapu, et al.Journal of Medicinal Chemistry|November 6, 2009
Binding ensemble profiling with photoaffinity labeling (BEProFL) approach: mapping the binding poses of HDAC8 inhibitorsBai He, Subash Velaparthi, Gilles Pieffet, et al.Bioorganic & Medicinal Chemistry|August 22, 2006
Computational evidence for the ligand selectivity to the alpha4beta2 and alpha3beta4 nicotinic acetylcholine receptorsHongbin Yuan, Pavel A PetukhovBioorganic & Medicinal Chemistry Letters|October 10, 2006
Improved 3D-QSAR CoMFA of the dopamine transporter blockers with multiple conformations using the genetic algorithmHongbin Yuan, Pavel A PetukhovJournal of Molecular Modeling|March 17, 2009
Parameterization of aromatic azido groups: application as photoaffinity probes in molecular dynamics studiesGilles Pieffet, Pavel A PetukhovTetrahedron|July 31, 2012
A One-Pot Selective Synthesis of N-Boc Protected Secondary Amines: Tandem Direct Reductive Amination/N-Boc ProtectionRaghupathi Neelarapu, Pavel A PetukhovJournal of Pharmaceutical Sciences|September 2, 2014
Investigation of migrant-polymer interaction in pharmaceutical packaging material using the linear interaction energy algorithmPeter Feenstra, Michael Brunsteiner, Johannes KhinastPageof 9