Literature DB >> 19116609

Predicting free energy changes using structural ensembles.

Alexander Benedix, Caroline M Becker, Bert L de Groot, Amedeo Caflisch, Rainer A Böckmann.   

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Year:  2009        PMID: 19116609     DOI: 10.1038/nmeth0109-3

Source DB:  PubMed          Journal:  Nat Methods        ISSN: 1548-7091            Impact factor:   28.547


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  6 in total

1.  A simple physical model for binding energy hot spots in protein-protein complexes.

Authors:  Tanja Kortemme; David Baker
Journal:  Proc Natl Acad Sci U S A       Date:  2002-10-15       Impact factor: 11.205

2.  Predicting changes in the stability of proteins and protein complexes: a study of more than 1000 mutations.

Authors:  Raphael Guerois; Jens Erik Nielsen; Luis Serrano
Journal:  J Mol Biol       Date:  2002-07-05       Impact factor: 5.469

3.  The modular architecture of protein-protein binding interfaces.

Authors:  D Reichmann; O Rahat; S Albeck; R Meged; O Dym; G Schreiber
Journal:  Proc Natl Acad Sci U S A       Date:  2004-12-23       Impact factor: 11.205

4.  Eris: an automated estimator of protein stability.

Authors:  Shuangye Yin; Feng Ding; Nikolay V Dokholyan
Journal:  Nat Methods       Date:  2007-06       Impact factor: 28.547

5.  Prediction of protein conformational freedom from distance constraints.

Authors:  B L de Groot; D M van Aalten; R M Scheek; A Amadei; G Vriend; H J Berendsen
Journal:  Proteins       Date:  1997-10

6.  A new method for predicting binding affinity in computer-aided drug design.

Authors:  J Aqvist; C Medina; J E Samuelsson
Journal:  Protein Eng       Date:  1994-03
  6 in total
  91 in total

1.  Predicting folding free energy changes upon single point mutations.

Authors:  Zhe Zhang; Lin Wang; Yang Gao; Jie Zhang; Maxim Zhenirovskyy; Emil Alexov
Journal:  Bioinformatics       Date:  2012-01-11       Impact factor: 6.937

2.  SiteComp: a server for ligand binding site analysis in protein structures.

Authors:  Yingjie Lin; Seungyeul Yoo; Roberto Sanchez
Journal:  Bioinformatics       Date:  2012-02-24       Impact factor: 6.937

3.  Protein thermostability calculations using alchemical free energy simulations.

Authors:  Daniel Seeliger; Bert L de Groot
Journal:  Biophys J       Date:  2010-05-19       Impact factor: 4.033

4.  Molecular basis of reduced glucosylceramidase activity in the most common Gaucher disease mutant, N370S.

Authors:  Marc N Offman; Marcin Krol; Israel Silman; Joel L Sussman; Anthony H Futerman
Journal:  J Biol Chem       Date:  2010-10-27       Impact factor: 5.157

5.  Structural insights into conformational stability of wild-type and mutant beta1-adrenergic receptor.

Authors:  Gouthaman S Balaraman; Supriyo Bhattacharya; Nagarajan Vaidehi
Journal:  Biophys J       Date:  2010-07-21       Impact factor: 4.033

6.  Crucial roles of single residues in binding affinity, specificity, and promiscuity in the cellulosomal cohesin-dockerin interface.

Authors:  Michal Slutzki; Dan Reshef; Yoav Barak; Rachel Haimovitz; Shahar Rotem-Bamberger; Raphael Lamed; Edward A Bayer; Ora Schueler-Furman
Journal:  J Biol Chem       Date:  2015-04-01       Impact factor: 5.157

Review 7.  Designing specific protein-protein interactions using computation, experimental library screening, or integrated methods.

Authors:  T Scott Chen; Amy E Keating
Journal:  Protein Sci       Date:  2012-06-08       Impact factor: 6.725

8.  Flex ddG: Rosetta Ensemble-Based Estimation of Changes in Protein-Protein Binding Affinity upon Mutation.

Authors:  Kyle A Barlow; Shane Ó Conchúir; Samuel Thompson; Pooja Suresh; James E Lucas; Markus Heinonen; Tanja Kortemme
Journal:  J Phys Chem B       Date:  2018-02-15       Impact factor: 2.991

9.  Misfolding of galactose 1-phosphate uridylyltransferase can result in type I galactosemia.

Authors:  Thomas J McCorvie; Tyler J Gleason; Judith L Fridovich-Keil; David J Timson
Journal:  Biochim Biophys Acta       Date:  2013-04-11

10.  Scoring ensembles of docked protein:ligand interactions for virtual lead optimization.

Authors:  Janet L Paulsen; Amy C Anderson
Journal:  J Chem Inf Model       Date:  2009-12       Impact factor: 4.956

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