Literature DB >> 8544170

Computational methods to predict binding free energy in ligand-receptor complexes.

M A Murcko.   

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Year:  1995        PMID： 8544170     DOI： 10.1021/jm00026a001

Source DB:  PubMed          Journal:  J Med Chem        ISSN： 0022-2623            Impact factor:   7.446


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  56 in total

1.  Deciphering common failures in molecular docking of ligand-protein complexes.

Authors:  G M Verkhivker; D Bouzida; D K Gehlhaar; P A Rejto; S Arthurs; A B Colson; S T Freer; V Larson; B A Luty; T Marrone; P W Rose
Journal:  J Comput Aided Mol Des       Date:  2000-11       Impact factor: 3.686

2.  Analysis of knowledge-based protein-ligand potentials using a self-consistent method.

Authors:  J Shimada; A V Ishchenko; E I Shakhnovich
Journal:  Protein Sci       Date:  2000-04       Impact factor: 6.725

3.  Comparative molecular field analysis and energy interaction studies of thrombin-inhibitor complexes.

Authors:  R Bursi; P D Grootenhuis
Journal:  J Comput Aided Mol Des       Date:  1999-05       Impact factor: 3.686

4.  A comparative study of ligand-receptor complex binding affinity prediction methods based on glycogen phosphorylase inhibitors.

Authors:  S S So; M Karplus
Journal:  J Comput Aided Mol Des       Date:  1999-05       Impact factor: 3.686

5.  Scoring functions: a view from the bench.

Authors:  J R Tame
Journal:  J Comput Aided Mol Des       Date:  1999-03       Impact factor: 3.686

6.  Combinatorial computational method gives new picomolar ligands for a known enzyme.

Authors:  Bartosz A Grzybowski; Alexey V Ishchenko; Chu-Young Kim; George Topalov; Robert Chapman; David W Christianson; George M Whitesides; Eugene I Shakhnovich
Journal:  Proc Natl Acad Sci U S A       Date:  2002-01-29       Impact factor: 11.205

7.  Protein ligand docking based on empirical method for binding affinity estimation.

Authors:  P Tao; L Lai
Journal:  J Comput Aided Mol Des       Date:  2001-05       Impact factor: 3.686

8.  The effect of multiple binding modes on empirical modeling of ligand docking to proteins.

Authors:  R Brem; K A Dill
Journal:  Protein Sci       Date:  1999-05       Impact factor: 6.725

9.  Revisiting free energy calculations: a theoretical connection to MM/PBSA and direct calculation of the association free energy.

Authors:  Jessica M J Swanson; Richard H Henchman; J Andrew McCammon
Journal:  Biophys J       Date:  2004-01       Impact factor: 4.033

10.  Modified AutoDock for accurate docking of protein kinase inhibitors.

Authors:  Oleksandr V Buzko; Anthony C Bishop; Kevan M Shokat
Journal:  J Comput Aided Mol Des       Date:  2002-02       Impact factor: 3.686
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