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41 in total

1. Trypsin specificity as elucidated by LIE calculations, X-ray structures, and association constant measurements.

Authors: Hanna-Kirsti Schrøder Leiros; Bjørn Olav Brandsdal; Ole Andreas Andersen; Vibeke Os; Ingar Leiros; Ronny Helland; Jacek Otlewski; Nils Peder Willassen; Arne O Smalås
Journal: Protein Sci Date: 2004-04 Impact factor: 6.725

2. Binding affinities in the SAMPL3 trypsin and host-guest blind tests estimated with the MM/PBSA and LIE methods.

Authors: Paulius Mikulskis; Samuel Genheden; Patrik Rydberg; Lars Sandberg; Lars Olsen; Ulf Ryde
Journal: J Comput Aided Mol Des Date: 2011-12-25 Impact factor: 3.686

3. A fragment-based approach to the SAMPL3 Challenge.

Authors: John L Kulp; Seth N Blumenthal; Qiang Wang; Richard L Bryan; Frank Guarnieri
Journal: J Comput Aided Mol Des Date: 2012-05 Impact factor: 3.686

4. Improved ligand-protein binding affinity predictions using multiple binding modes.

Authors: Eva Stjernschantz; Chris Oostenbrink
Journal: Biophys J Date: 2010-06-02 Impact factor: 4.033

5. Soft-core potentials in thermodynamic integration: comparing one- and two-step transformations.

Authors: Thomas Steinbrecher; InSuk Joung; David A Case
Journal: J Comput Chem Date: 2011-08-27 Impact factor: 3.376

6. Probing the effect of point mutations at protein-protein interfaces with free energy calculations.

Authors: Martin Almlöf; Johan Aqvist; Arne O Smalås; Bjørn O Brandsdal
Journal: Biophys J Date: 2005-11-04 Impact factor: 4.033

7. Calculation of absolute protein-ligand binding free energy from computer simulations.

Authors: Hyung-June Woo; Benoît Roux
Journal: Proc Natl Acad Sci U S A Date: 2005-05-02 Impact factor: 11.205

8. Can free energy calculations be fast and accurate at the same time? Binding of low-affinity, non-peptide inhibitors to the SH2 domain of the src protein.

Authors: Christophe Chipot; Xavier Rozanska; Surjit B Dixit
Journal: J Comput Aided Mol Des Date: 2005-12-20 Impact factor: 3.686

9. VSDMIP: virtual screening data management on an integrated platform.

Authors: Rubén Gil-Redondo; Jorge Estrada; Antonio Morreale; Fernando Herranz; Javier Sancho; Angel R Ortiz
Journal: J Comput Aided Mol Des Date: 2008-10-22 Impact factor: 3.686

10. Quantitative three dimensional structure linear interaction energy model of 5'-O-[N-(salicyl)sulfamoyl]adenosine and the aryl acid adenylating enzyme MbtA.

Authors: Nicholas P Labello; Eric M Bennett; David M Ferguson; Courtney C Aldrich
Journal: J Med Chem Date: 2008-11-27 Impact factor: 7.446