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出版商:
Springer
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出版日期:
2025-11-09
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售價:
$8,760
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貴賓價:
9.5 折
$8,322
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語言:
英文
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頁數:
168
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裝訂:
Hardcover - also called cloth, retail trade, or trade
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ISBN:
3032073650
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ISBN-13:
9783032073655
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相關分類:
Machine Learning
商品描述
This book offers a comprehensive overview of cutting-edge computational strategies in drug discovery, with a focus on in silico approaches that accelerate the identification and optimization of therapeutic candidates. Readers will find detailed insights into molecular docking, molecular dynamics simulations, and structure-based drug design, alongside predictive models for toxicity, pharmacokinetics (ADMET), and enzyme inhibition. By combining theoretical foundations with practical applications, the volume highlights how artificial intelligence and computational chemistry are reshaping modern pharmaceutical research and enabling the development of safer, more effective drugs.
商品描述(中文翻譯)
本書提供了藥物發現中尖端計算策略的全面概述，重點在於加速治療候選藥物識別和優化的 in silico 方法。讀者將深入了解分子對接（molecular docking）、分子動力學模擬（molecular dynamics simulations）和基於結構的藥物設計（structure-based drug design），以及毒性、藥物代謝動力學（ADMET）和酶抑制的預測模型。通過將理論基礎與實際應用相結合，本書強調了人工智慧（artificial intelligence）和計算化學（computational chemistry）如何重塑現代藥物研究，並促進更安全、更有效藥物的開發。
作者簡介
Professor Dr. Carlton A. Taft earned the Master of Science (Physics) at the University of Illinois (USA) in 1969; the Phd in Physics at the Centro Brasileiro de Pesquisas Físicas (CBPF) in 1975 and did post-doctoral work as a periodic senior visitor to the Chemistry Department, University of California, Berkeley; Lawrence Berkeley Laboratory (USA) in 1988-1993. He was hired at CBPF in 1976 and worked his way up to Full Professor. He works in multidisciplinary areas with focus on theoretical-computational simulation, physical/chemical/biological/engineering applications in Molecular and Material Sciences. Doctor Sergio R. de Lazaro (was born October 1977, in São Paulo, Brazil) received his undergraduate degree in Chemistry 1999 and his Ph.D. in Chemistry in 2006 from the Federal University of São Carlos (UFSCar) in Sao Paulo, Brazil. Since 2007 is an adjunct professor of chemistry and materials science at the State University of Ponta Grossa (UFPG). His research interests are in the field of computational chemistry, quantum chemistry, surface, morphology, magnetic oxides, ferroelectric, dielectric, superconductors, density functional theory (DFT) and applications of novel advanced materials from a combination of experimental and theoretical approaches.
作者簡介(中文翻譯)
卡爾頓·A·塔夫特教授（Professor Dr. Carlton A. Taft）於1969年在美國伊利諾伊大學獲得物理學碩士學位；1975年在巴西物理研究中心（Centro Brasileiro de Pesquisas Físicas, CBPF）獲得物理學博士學位，並於1988年至1993年間作為定期高級訪客在加州大學伯克利分校化學系及洛倫斯伯克利國家實驗室進行博士後研究。他於1976年被CBPF聘用，並逐步晉升為正教授。他的研究領域涵蓋多學科，專注於理論計算模擬、物理/化學/生物/工程應用於分子與材料科學。
塞爾吉奧·R·德·拉薩羅博士（Doctor Sergio R. de Lazaro，1977年10月出生於巴西聖保羅）於1999年獲得化學學士學位，並於2006年在巴西聖卡洛斯聯邦大學（Federal University of São Carlos, UFSCar）獲得化學博士學位。自2007年以來，他擔任彭塔格羅薩州立大學（State University of Ponta Grossa, UFPG）化學與材料科學的兼任教授。他的研究興趣包括計算化學、量子化學、表面、形態、磁性氧化物、鐵電材料、介電材料、超導體、密度泛函理論（Density Functional Theory, DFT）以及從實驗和理論方法結合中應用新型先進材料。
