Literature DB >> 31550159

Correction to "Rigorous Free Energy Perturbation Approach to Estimating Relative Binding Affinities between Ligands with Multiple Protonation and Tautomeric States".

César de Oliveira, Haoyu S Yu, Wei Chen, Robert Abel, Lingle Wang.   

Abstract

Year:  2019        PMID： 31550159     DOI： 10.1021/acs.jctc.9b00841

Source DB:  PubMed          Journal:  J Chem Theory Comput        ISSN： 1549-9618            Impact factor:   6.006


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  1 in total

1.  Pattern-free generation and quantum mechanical scoring of ring-chain tautomers.

Authors:  Daniel S Levine; Mark A Watson; Leif D Jacobson; Claire E Dickerson; Haoyu S Yu; Art D Bochevarov
Journal:  J Comput Aided Mol Des       Date:  2020-08-24       Impact factor: 3.686
  1 in total

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