Virtual screening and free energy estimation for identifying Mycobacterium tuberculosis flavoenzyme DprE1 inhibitors

scientific article published on 07 October 2020

Virtual screening and free energy estimation for identifying Mycobacterium tuberculosis flavoenzyme DprE1 inhibitors is …
instance of (P31):
scholarly articleQ13442814

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P356DOI10.1016/J.JMGM.2020.107770
P698PubMed publication ID33065513

P2093author name stringRakesh Srivastava
Andrew M Lynn
Niranjan Kumar
Amresh Prakash
P2860cites workSMILES, a chemical language and information system. 1. Introduction to methodology and encoding rulesQ28090714
PTRAJ and CPPTRAJ: Software for Processing and Analysis of Molecular Dynamics Trajectory DataQ31026348
Epik: a software program for pK( a ) prediction and protonation state generation for drug-like moleculesQ81360455
P921main subjectMycobacterium tuberculosisQ130971
virtual screeningQ4112105
P304page(s)107770
P577publication date2020-10-07
P1433published inJournal of Molecular Graphics & ModellingQ3186928
P1476titleVirtual screening and free energy estimation for identifying Mycobacterium tuberculosis flavoenzyme DprE1 inhibitors
P478volume102

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