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Computer Simulations in Molecular Biology

Posted By: AvaxGenius
Computer Simulations in Molecular Biology

Computer Simulations in Molecular Biology by Hiqmet Kamberaj
English | PDF EPUB (True) | 2023 | 306 Pages | ISBN : 3031348389 | 76.2 MB

This book covers a range of topics in quantum mechanics and molecular dynamics simulation, including computational modeling and machine learning approaches. The book also provides a Python GUI and tutorials for simulating molecular biological systems and presents case studies of quantum mechanics simulations for predicting electronic properties. Its pedagogical formatting makes it easy for students to understand and follow and has been praised for providing clear and detailed explanations of complex topics. This book is ideal for graduate students and researchers in theoretical and computational biophysics, physics, chemistry, and materials science, as well as postgraduates in applied mathematics, computer science, and bioinformatics.

Modeling Marvels: Computational Anticipation of Novel Molecules

Posted By: AvaxGenius
Modeling Marvels: Computational Anticipation of Novel Molecules

Modeling Marvels: Computational Anticipation of Novel Molecules by Errol G. Lewars
English | PDF | 2008 | 287 Pages | ISBN : 1402069723 | 7.6 MB

The aim of this book is to survey a number of chemical compounds that chemists, both theoretical and experimental, find fascinating. Some of these compounds, like planar carbon species or oxirene, offer no obvious practical applications; nitrogen oligomers and polymers, in contrast, have been touted as possible high-energy-density materials. What unites this otherwise eclectic collection is that these substances are unknown and offer a challenge to theory and to synthesis. It is envisioned that this collection of idiosynchractic molecules will appeal to chemists who find the study of chemical oddities interesting and, on occasion, even rewarding.