<p>Foreword xxi</p> <p>Preface xxiii</p> <p>Acknowledgments xxv</p> <p>1 Quantum Computational Concepts and Approaches in Drug Discovery, Development and Delivery 1<br /><i>Dhanalekshmi Unnikrishnan Meenakshi, Suresh Manic Kesavan, Arul Prakash Francis and Shah Alam Khan</i></p> <p>2 Quantum-Enabled Drug Discovery Process 27<br /><i>Abhishek Rao, Deepika Kumari, Satyendra Singh, Ketan Kumar and Vijay Kumar Prajapati</i></p> <p>3 Quantum Computing and Its Promise in Drug Discovery 57<br /><i>Rakhi Mishra, Prem Shankar Mishra, Rupa Mazumder, Avijit Mazumder and Shruti Varshney</i></p> <p>4 Exploring Nano-Based Therapeutics by Quantum Computational Modeling 93<br /><i>Ponduri Teja Kumar, Roja Rani Budha, G. Raghavendra Kumar, B. Nagamani and G.S.N. Koteswara Rao</i></p> <p>5 Application of Quantum Computational Simulation in Drug Delivery Strategies with Carbon Nanotubes 141<br /><i>Rupali Sharma, Yashomita Mehta, Shekhar Sharma, Jagriti Narang and Shabnam Thakur</i></p> <p>6 Quantum Computation Approach for Nanotechnology-Based Targeted Drug Delivery Systems 171<br /><i>Smriti Ojha, Sudhanshu Mishra, Anubhav Anand, Amrita Singh and Palak Gupta</i></p> <p>7 Role of Quantum Computing Simulations in Targeted Drug Delivery of Liposomes 195<br /><i>Rupali Sharma, Suman Khurana, Arun Mittal, Parveen Kumar Goyal, Kavita Sangwan and Satish Sardana</i></p> <p>8 Quantum Computational Methods and Computer-Aided Drug Design in Transdermal Drug Delivery of Nanoparticles 231<br /><i>Jahasultana Mohammed, Haritha Lanka, Roja Rani Budha, Rajasekhar Reddy Alavala, G.S.N. Koteswara Rao and Surya Kovvasu</i></p> <p>9 Computational Approaches for Drug Delivery of Nanoparticles 247<br /><i>Urvashi Sharma, Hemant Khambete, Nitu Singh, Sanjay Jain, Neelam Jain and Kamal Dua</i></p> <p>10 Utilization of Computational Methods for Rational Development of Nanoemulsions, Polymeric Micelles, and Dendrimers Drug Delivery Systems 283<br /><i>Swarupanjali Padhi and Rupa Mazumder</i></p> <p>11 Molecular Simulation: A Promising Tool for In Silico Design of Drug Delivery Formulations 325<br /><i>Prem Shankar Mishra, Rakhi Mishra and Deepika Sharma</i></p> <p>12 Controlling the Drug Release Rate and Targeted Drug Delivery to the Desired Site by Molecular Simulation 353<br /><i>Deepika Bairagee, Sunita Panchawat, Neelam Jain and Sirisha Pingali</i></p> <p>13 Molecular Docking: An Essential Step in Computer-Aided Drug Design 389<br /><i>Lata Potey, Suchita Waghmare, Anshu Chaudhary Dudhe, Rupesh Dudhe and Prafulla Sabale</i></p> <p>14 Challenges and Emerging Problems in CADD 407<br /><i>Akshita Arora, Simranjeet Kaur and Amandeep Singh</i></p> <p>References 438</p> <p>Index 443</p>