Probing Hydration Patterns in Class-A GPCRs via Biased MD: The A2A Receptor

Journal of Chemical Theory and Computation

Volumn 12, Issue 12, 2016, Pages 6049-6061

  Zia, Syeda Rehana ^a   Gaspari, Roberto ^a   Decherchi, Sergio ^a,b   Rocchia, Walter ^a  

^a ISTITUTO ITALIANO DI TECNOLOGIA   (Italy)

^b BiKi Technologies srl   (Italy)

Author keywords

[No Author keywords available]

Indexed keywords

ADENOSINE A2A RECEPTOR; LIGAND; PROTEIN BINDING; TRIAZINE DERIVATIVE; WATER;

CHEMISTRY; METABOLISM; MOLECULAR DYNAMICS; PROTEIN TERTIARY STRUCTURE; THERMODYNAMICS;

LIGANDS; MOLECULAR DYNAMICS SIMULATION; PROTEIN BINDING; PROTEIN STRUCTURE, TERTIARY; RECEPTOR, ADENOSINE A2A; THERMODYNAMICS; TRIAZINES; WATER;

EID: 85006042856     PISSN: 15499618     EISSN: 15499626     Source Type: Journal    
DOI: 10.1021/acs.jctc.6b00475     Document Type: Article

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