WaterMap and Molecular Dynamic Simulation-Guided Discovery of Potential PAK1 Inhibitors Using Repurposing Approaches

• Jayashree Biswal,
• Prajisha Jayaprakash,
• Suresh Kumar Rayala,
• Ganesh Venkatraman,
• Raghu Rangaswamy,
• Jeyakanthan Jeyaraman

Affiliations

Jayashree Biswal

Structural Biology and Bio-Computing Laboratory, Department of Bioinformatics, Science Block, Alagappa University, Karaikudi, Tamil Nadu, India

Prajisha Jayaprakash

Structural Biology and Bio-Computing Laboratory, Department of Bioinformatics, Science Block, Alagappa University, Karaikudi, Tamil Nadu, India

Suresh Kumar Rayala

Department of Biotechnology, Indian Institute of Technology Madras, Chennai, Tamil Nadu, India

Ganesh Venkatraman

Department of Human Genetics, College of Biomedical Sciences, Sri Ramachandra University, Chennai, Tamil Nadu, India

Raghu Rangaswamy

Structural Biology and Bio-Computing Laboratory, Department of Bioinformatics, Science Block, Alagappa University, Karaikudi, Tamil Nadu, India

Jeyakanthan Jeyaraman

Structural Biology and Bio-Computing Laboratory, Department of Bioinformatics, Science Block, Alagappa University, Karaikudi, Tamil Nadu, India