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Bioorganic & Medicinal Chemistry, ISSN 0968-0896, 08/2010, Volume 18, Issue 15, pp. 5738 - 5748
Here, we present a structural comparison of the important and similar interactions necessary for Gleevec®, Nexavar®, and BIRB-796 to bind to their respective... 
Allosteric structure based drug design kinase type II | CHEMISTRY, MEDICINAL | PROTEIN | C-ABL | BIOCHEMISTRY & MOLECULAR BIOLOGY | CHEMISTRY, ORGANIC | SORAFENIB | CANCER | P38 MAP KINASE | HEPATOCELLULAR-CARCINOMA | MELANOMA | BRAF MUTATIONS | IMATINIB | B-RAF | Niacinamide - analogs & derivatives | Mitogen-Activated Protein Kinase 14 - antagonists & inhibitors | Proto-Oncogene Proteins c-abl - antagonists & inhibitors | Pyridines - chemistry | Allosteric Regulation | Antineoplastic Agents - chemical synthesis | Crystallography, X-Ray | Phenylurea Compounds | Piperazines - chemistry | Pyrimidines - chemistry | Benzenesulfonates - pharmacology | Protein Kinase Inhibitors - chemistry | Pyrazoles - chemistry | Mitogen-Activated Protein Kinase 14 - metabolism | Computer Simulation | Drug Design | Antineoplastic Agents - pharmacology | Oligopeptides - chemistry | Proto-Oncogene Proteins B-raf - metabolism | Pyrazoles - pharmacology | Naphthalenes - chemistry | Amino Acid Sequence | Protein Kinase Inhibitors - chemical synthesis | Catalytic Domain | Pyrimidines - pharmacology | Antineoplastic Agents - chemistry | Imatinib Mesylate | Piperazines - pharmacology | Naphthalenes - pharmacology | Proto-Oncogene Proteins B-raf - antagonists & inhibitors | Benzenesulfonates - chemistry | Hydrogen Bonding | Proto-Oncogene Proteins c-abl - metabolism | Protein Kinase Inhibitors - pharmacology | Pyridines - pharmacology | Benzamides | Adenosine Triphosphate - chemistry | Antimitotic agents | Chemical properties | Antineoplastic agents | Pharmacy | Analysis | Index Medicus
Journal Article
Bioorganic & Medicinal Chemistry, ISSN 0968-0896, 11/2016, Volume 24, Issue 22, pp. 5771 - 5780
Journal Article
2019, ISBN 3038976148
This book is a printed edition of the Special Issue Molecular Modeling in Drug Design that was published in Molecules 
metadynamics | natural compounds | virtual screening | probe energies | molecular dynamics simulation | human ecto-5?-nucleotidase | neural networks | quantitative structure-activity relationship (QSAR) | artificial intelligence | allosterism | in silico screening | drug discovery | amyloid fibrils | mechanical stability | adenosine receptors | adenosine receptor | ligand binding | promiscuous mechanism | AutoGrid | dynamic light scattering | resultant dipole moment | density-based clustering | Alzheimer’s disease | drug design | biophenols | enzymatic assays | all-atom molecular dynamics simulation | fragment screening | adenosine | docking | protofiber interactions | molecular docking | cosolvent molecular dynamics | turbidimetry | squalene synthase (SQS) | molecular recognition | protein-peptide interactions | extracellular loops | FimH | binding affinity | rational drug design | de novo design | hyperlipidemia | AR ligands | aggregation | property prediction | ligand | PPI inhibition | deep learning | proteins | quantitative structure-property prediction (QSPR) | protein protein interactions | boron cluster | target-focused pharmacophore modeling | structure-based drug design | scoring function | grid maps | solvent effect | adhesion | molecular dynamics | Traditional Chinese Medicine | steered molecular dynamics | interaction energy | EphA2-ephrin A1 | molecular modeling | method development
eBook
Chemical Biology & Drug Design, ISSN 1747-0277, 07/2007, Volume 70, Issue 1, pp. 1 - 12
Journal Article
Bioorganic & Medicinal Chemistry Letters, ISSN 0960-894X, 11/2017, Volume 27, Issue 21, pp. 4925 - 4931
Journal Article
Bioorganic & Medicinal Chemistry, ISSN 0968-0896, 01/2014, Volume 22, Issue 2, pp. 892 - 905
Journal Article
Journal Article
European Journal of Medicinal Chemistry, ISSN 0223-5234, 02/2019, Volume 163, pp. 747 - 762
Journal Article