Docking Ligands on Protein Surfaces: The Case Study of Prion Protein-Reference-Cited by-同舟云学术

Docking Ligands on Protein Surfaces: The Case Study of Prion Protein

Published:2009-08-14 Issue:9 Volume:5 Page:2565-2573
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Kranjc Agata¹,Bongarzone Salvatore¹,Rossetti Giulia¹,Biarnés Xevi¹,Cavalli Andrea¹,Bolognesi Maria Laura¹,Roberti Marinella¹,Legname Giuseppe¹,Carloni Paolo¹

Affiliation:

1. Statistical and Biological Physics Sector, Neurobiology Sector, International School for Advanced Studies (SISSA), SISSA-Unit, Italian Institute of Technology, 34014 Trieste, Italy, Department of Pharmaceutical Sciences, Alma Mater Studiorum, University of Bologna, 40126 Bologna, Italy, Department of Drug Discovery and Development, Italian Institute of Technology, 16163 Genova, Italy, and CNR-INFM-DEMOCRITOS Modeling Center for Research in Atomistic Simulation, 34014 Trieste, Italy

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/ct900257t

Reference67 articles.

1. Docking and scoring in virtual screening for drug discovery: methods and applications

2. Combining docking and molecular dynamic simulations in drug design

3. Accounting for global protein deformability during protein–protein and protein–ligand docking

4. Docking of flexible ligands to flexible receptors in solution by molecular dynamics simulation

5. Application of a Molecular Dynamics Simulation Method with a Generalized Effective Potential to the Flexible Molecular Docking Problems

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