Understanding the molecular basis of MK2–p38α signaling complex assembly: insights into protein–protein interaction by molecular dynamics and free energy studies

Protein-Protein Interactions: Principles, Techniques, and their Potential Role in New Drug Development

(2012) Shagufta H. Khan et al.   JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS

Inter-domain movements in polyketide synthases: a molecular dynamics study

(2012) Swadha Anand et al.   Molecular BioSystems

Challenges for the prediction of macromolecular interactions

(2011) Mark N Wass et al.   CURRENT OPINION IN STRUCTURAL BIOLOGY

LigPlot+: Multiple Ligand–Protein Interaction Diagrams for Drug Discovery

(2011) Roman A. Laskowski et al.   Journal of Chemical Information and Modeling

Understanding the Specificity of a Docking Interaction between JNK1 and the Scaffolding Protein JIP1

(2011) Chunli Yan et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Interactions between CD44 protein and hyaluronan: insights from the computational study

(2011) Wojciech Plazinski et al.   Molecular BioSystems

Molecular dynamics simulation of conformational heterogeneity in transportin 1

(2011) Xia Wang et al.   PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS

Dynamic mechanisms for pre-miRNA binding and export by Exportin-5

(2011) X. Wang et al.   RNA

Molecular Modeling Approaches in the Discovery of New Drugs for Anti-Cancer Therapy: The Investigation of p53-MDM2 Interaction and its Inhibition by Small Molecules

(2010) A. Lauria et al.   CURRENT MEDICINAL CHEMISTRY

Predicting protein–protein interaction specificity through the integration of three-dimensional structural information and the evolutionary record of protein domains

(2010) Alejandro Panjkovich et al.   Molecular BioSystems

Accounting for conformational entropy in predicting binding free energies of protein-protein interactions

(2010) Hetunandan Kamisetty et al.   PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS

Mechanism of MicroRNA-Target Interaction: Molecular Dynamics Simulations and Thermodynamics Analysis

(2010) Yonghua Wang et al.   PLoS Computational Biology

MAPKAPK-2 modulates p38-MAPK localization and small heat shock protein phosphorylation but does not mediate the injury associated with p38-MAPK activation during myocardial ischemia

(2009) Diana A. Gorog et al.   CELL STRESS & CHAPERONES

Elucidating the Inhibition Mechanism of HIV-1 Non-Nucleoside Reverse Transcriptase Inhibitors through Multicopy Molecular Dynamics Simulations

(2009) Anthony Ivetac et al.   JOURNAL OF MOLECULAR BIOLOGY

Energy based approach for understanding the recognition mechanism in protein–protein complexes

(2009) M. Michael Gromiha et al.   Molecular BioSystems

Fast predictions of thermodynamics and kinetics of protein–protein recognition from structures: from molecular design to systems biology

(2009) Daniele Dell’Orco   Molecular BioSystems

Assessment of helical interfaces in protein–protein interactions

(2009) Andrea L. Jochim et al.   Molecular BioSystems

MK2: a novel molecular target for anti-inflammatory therapy

(2008) Senthil Duraisamy et al.   EXPERT OPINION ON THERAPEUTIC TARGETS

Molecular Dynamics—Solvated Interaction Energy Studies of Protein–Protein Interactions: The MP1–p14 Scaffolding Complex

(2008) Qizhi Cui et al.   JOURNAL OF MOLECULAR BIOLOGY

Rapid and Accurate Prediction of Binding Free Energies for Saquinavir-Bound HIV-1 Proteases

(2008) Ileana Stoica et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY