3D-QSAR and Docking Studies on 4-Anilinoquinazoline and 4-Anilinoquinoline Epidermal Growth Factor Receptor (EGFR) Tyrosine Kinase Inhibitors Posted on September 8, 2015December 13, 2024 by Anonymous
Combining NMR and Molecular Modelling in a Drug Delivery Context: Investigation of the Multi-Mode Inclusion of a New NPY-5 Antagonist Bromobenzenesulfonamide into ‘-Cyclodextrin Posted on September 8, 2015December 13, 2024 by Anonymous
Discovery of the macrocycle 11-(2-Pyrrolidin-1-yl-ethoxy)-14,19-dioxa-5,7,26-triaza-tetracyclo[19.3.1.1(2,6).1(8,12)]heptacosa-1(25),2(26),3,5,8,10,12(27),16,21,23-decaene (SB1518), a potent Janus kinase 2/fms-Like tyrosine kinase-3 (JAK2/FLT3) Inhibitor for the treatment of myelofibrosis and lymphoma Posted on September 8, 2015December 13, 2024 by Anonymous
Accurate Calculations of Ligand Binding Free Energies: Chiral Separation with Enantioselective Receptors Posted on September 8, 2015December 13, 2024 by Anonymous
Enantioselective Proteins: Selection, Binding Studies and Molecular Modeling of Antibodies with Affinity towards Hydrophobic BINOL Derivatives Posted on September 8, 2015December 13, 2024 by Anonymous
Structure and Dynamics of the Lantibiotic Mutacin 1140 Posted on September 8, 2015December 13, 2024 by Anonymous
A molecular mechanics approach to modeling protein-ligand interactions: Relative binding affinities in congeneric series Posted on September 8, 2015December 13, 2024 by Anonymous
Three-Dimensional Structure and Dynamics of Wine Tannin-Saliva Protein Complexes. A Multitechnique Approach Posted on September 8, 2015December 13, 2024 by Anonymous
Generation of Ligand Conformations in Continuum Solvent Consistent with Protein Active Site Topology: Application to Thromb Posted on September 8, 2015December 13, 2024 by Anonymous
Molecular Descriptors Influencing Melting Point and Their Role in Classification of Solid Drugs Posted on September 8, 2015December 13, 2024 by Anonymous
Generation of receptor structural ensembles for virtual screening using binding site shape analysis and clustering Posted on September 8, 2015December 13, 2024 by Anonymous
Design of Novel N-(2,4-Dioxo-1,2,3,4-tetrahydro-thieno[3,2-d]pyrimidin-7-yl)-guanidines as Thymidine Phosphorylase Inhibitors, and Flexible Docking to a Homology Model Posted on September 8, 2015December 13, 2024 by Anonymous