Literature DB >> 864136

Electronic effects in the interaction of para-substituted benzamidines with trypsin: the involvement of the pi-electronic density at the central atom of the substituent in binding.

M Mares-Guia, D L Nelson, E Rogana.   

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Year:  1977        PMID： 864136     DOI： 10.1021/ja00449a051

Source DB:  PubMed          Journal:  J Am Chem Soc        ISSN： 0002-7863            Impact factor:   15.419


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  5 in total

1.  Profiling charge complementarity and selectivity for binding at the protein surface.

Authors:  Traian Sulea; Enrico O Purisima
Journal:  Biophys J       Date:  2003-05       Impact factor: 4.033

2.  Calculation of protein-ligand binding free energy by using a polarizable potential.

Authors:  Dian Jiao; Pavel A Golubkov; Thomas A Darden; Pengyu Ren
Journal:  Proc Natl Acad Sci U S A       Date:  2008-04-21       Impact factor: 11.205

3.  Enzyme-inhibitor association thermodynamics: explicit and continuum solvent studies.

Authors:  H Resat; T J Marrone; J A McCammon
Journal:  Biophys J       Date:  1997-02       Impact factor: 4.033

4.  The application of three approximate free energy calculations methods to structure based ligand design: trypsin and its complex with inhibitors.

Authors:  R J Radmer; P A Kollman
Journal:  J Comput Aided Mol Des       Date:  1998-05       Impact factor: 3.686

Review 5.  Accurate determination of protein:ligand standard binding free energies from molecular dynamics simulations.

Authors:  Haohao Fu; Haochuan Chen; Marharyta Blazhynska; Emma Goulard Coderc de Lacam; Florence Szczepaniak; Anna Pavlova; Xueguang Shao; James C Gumbart; François Dehez; Benoît Roux; Wensheng Cai; Christophe Chipot
Journal:  Nat Protoc       Date:  2022-03-11       Impact factor: 17.021
  5 in total

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