Deciphering structural stability and binding mechanisms of potential antagonists with smoothened protein

Journal of Biomolecular Structure and Dynamics

Volumn 36, Issue 11, 2018, Pages 2917-2937

  Sinha, Noopur ^a,b   Chowdhury, Saikat ^a,b   Sarkar, Ram Rup ^a,b  

^a NATIONAL CHEMICAL LABORATORY   (India)

^b ACADEMY OF SCIENTIFIC AND INNOVATIVE RESEARCH ACSIR   (India)

Author keywords

inhibitors; molecular dynamics and dynamic graph theory; pi pi interaction; smoothened protein; structural stability

Indexed keywords

ANTINEOPLASTIC AGENT; CYCLOPAMINE; PHENANTHRENE; PYRAZOLE; SMOOTHENED PROTEIN; TALADEGIB; UNCLASSIFIED DRUG; VISMODEGIB; ZINC 12368305; LIGAND; PROTEIN BINDING;

ARTICLE; CHEMICAL INTERACTION; DRUG BINDING; DRUG STABILITY; DRUG STRUCTURE; DYNAMIC GRAPH THEORY; HUMAN; MOLECULAR DOCKING; MOLECULAR DYNAMICS; MOLECULE; PREDICTION; PRIORITY JOURNAL; PROTEIN STRUCTURE; THEORETICAL STUDY; THEORY; ALGORITHM; ANTAGONISTS AND INHIBITORS; CHEMISTRY; CONFORMATION; DRUG DESIGN; HYDROGEN BOND; MOLECULAR MODEL; PROTEIN STABILITY; REPRODUCIBILITY; STRUCTURE ACTIVITY RELATION;

ALGORITHMS; DRUG DESIGN; HYDROGEN BONDING; LIGANDS; MODELS, MOLECULAR; MOLECULAR CONFORMATION; MOLECULAR DOCKING SIMULATION; MOLECULAR DYNAMICS SIMULATION; PROTEIN BINDING; PROTEIN STABILITY; REPRODUCIBILITY OF RESULTS; SMOOTHENED RECEPTOR; STRUCTURE-ACTIVITY RELATIONSHIP;

EID: 85029484530     PISSN: 07391102     EISSN: 15380254     Source Type: Journal    
DOI: 10.1080/07391102.2017.1372310     Document Type: Article

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