Exact and effective pair-wise potential for protein-ligand interactions obtained from a semiempirical energy partition.
Carvalho ARF, Puga AT, Melo A.
Carvalho ARF, et al. Among authors: melo a.
Int J Mol Sci. 2008 Sep;9(9):1652-1664. doi: 10.3390/ijms9091652. Epub 2008 Sep 2.
Int J Mol Sci. 2008.
PMID: 19325823
Free PMC article.
In this work, the partition method introduced by Carvalho and Melo was used to study the complex between Cucurbita maxima trypsin inhibitor (CMTI-I) and glycerol at the AM1 level. ...The main residues (Gly29, Cys3 and Arg5) with net attractive effects and Arg1 (with a …
In this work, the partition method introduced by Carvalho and Melo was used to study the complex between Cucurbita maxima trypsin inh …