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A comprehensive and up-to-date overview, this is both a desktop reference and practical guide for virtual screening applications in drug discovery. Clearly divided into three major sections, the first on principles provides a detailed description of the methods required for and …
"Computational Approaches in Cheminformatics and Bioinformatics explores for the first time the unique connection between cheminformatics and bioinformatics. This revolutionary resource demonstrates how integrating these two seemingly different disciplines allows one to computat…
Computational Sciences
by Lawrence, Peter, Chakraborty, Tanmoy, Akra, Bandyopadhyay, Alcolea Palafox, Mauricio, Bhalekar, Sachin, Biswas Majee, Sutapa, Chooramun, Nitish, Chowdhury, Suman, Dhar, Namrata, Galea, Ed, Gbayo, K., Hochlaf, Majdi, Jana, Debnarayan, Khairat, Toufik, Komiha, Najia, Linguerri, Roberto, Lobb, K., Marakchi, Khadija, Marcano, Emildo, Ocaya, Richard, Patade, Jayvant, Salah, Mohammed, Schwingenschlögl, Udo
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Type: Book
Eleven carefully selected, peer-reviewed contributions from the Virtual Conference on Computational Science (VCCS-2016) are featured in this edited book of proceedings. VCCS-2016, an annual meeting, was held online from 1st to 31st August 2016. The theme of the conference was "C…
Computational sciences
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Type: Book
Computational chemistry: applications and new technologies
by Ramasami, Ponnadurai, Ntie-Kang, Fidele, Abdulsalami, Ibrahim Olasegun, Adelani Alabi, Kazeem, Adeoye, Moriam Dasola, Aderinto, Shukurat Modupe, Adigun, Rasheed Adewale, Adigun, Temidayo Olamide, Akintemi, Eric O., Alakanse, Oluwaseun Suleiman, Ambrose, George Oche, Bekono, Boris D., Bello, Isa Adewale, Bhagwat, Archana, Bhalekar, Sulochana, Bilonda, Mireille K., Eni, Donatus B., Govender, Penny P., Igunnu, Adedoyin, Isanbor, Chukwuemeka, Junaid, Idris O., Kuznetsov, Aleksey E., Mammino, Liliana, Megnassan, Eugène, Oche Ambrose, George, Olagboye, Sulaimon, Olasegun Abdulsalami, Ibrahim, Oloba-Whenu, Oluwakemi A., Oluwasegun Bamidele, Joshua, Opoku, Francis, Owono, Luc C. O., Parlak, Cemal, Rhyman, Lydia, Sekar, Nagaiyan, Semire, Banjo, Shinde, Suvidha, Sona, Alfred N., Sümeyra Atan, Berna, Tolufashe, Gideon F., Yusuf, Tunde L.
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Type: Book
Computational Chemistry serves as a complement to experimental chemistry where the tools are limited. Using computational programs to solve advanced problems is widely used in the design and analysis of for example new molecules, surfaces, drugs and materials. This book will pre…
Vol. 1 of Chemoinformatics of Natural Products presents an overview of natural products chemistry, discussing the chemical space of naturally occurring compounds, followed by an overview of computational methods.