Binding affinity calculations: Benefits and limitations in drug discovery

被引：0

作者：

Vega, Camilo Velez ^{[2
]}

Pearlstein, Robert ^{[4
]}

Mckay, Daniel ^{[2
]}

Kurtzman, Thomas ^{[1
]}

Duca, Jose ^{[3
]}

机构：

[1] CUNY, Lehman Coll, Chem, New York, NY 10021 USA

[2] Novartis Inst Biomed Res, Cambridge, MA USA

[3] Novartis Inst BioMed Res, Hopkinton, MA USA

[4] Novartis Inst BioMed Res, Lexington, MA USA

来源：

ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY | 2015年 / 250卷

关键词：

D O I：

暂无

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

引用

页数：1

共 50 条

[1] Efficient prediction of relative ligand binding affinity in drug discovery
[J]. Nature Computational Science, 2023, 3 : 829 - 830
[2] Advances and applications of binding affinity prediction methods in drug discovery
Parenti, Marco Daniele
Rastelli, Giulio
[J]. BIOTECHNOLOGY ADVANCES, 2012, 30 (01) : 244 - 250
[3] Efficient prediction of relative ligand binding affinity in drug discovery
Yu, Jie
Zheng, Mingyue
[J]. NATURE COMPUTATIONAL SCIENCE, 2023, 3 (10): : 829 - 830
[4] Drug discovery - Drug discovery: Affinity and beyond
Janjic, N
[J]. BIOPHARM-THE APPLIED TECHNOLOGIES OF BIOPHARMACEUTICAL DEVELOPMENT, 1998, 11 (02): : 28 - 28
[5] Relative binding free energy calculations to accelerate drug discovery
Sherman, Woody
[J]. ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2016, 252
[6] The slow but steady rise of binding free energy calculations in drug discovery
Xu, Huafeng
[J]. JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN, 2023, 37 (02) : 67 - 74
[7] The slow but steady rise of binding free energy calculations in drug discovery
Huafeng Xu
[J]. Journal of Computer-Aided Molecular Design, 2023, 37 : 67 - 74
[8] Recent Advances in Alchemical Binding Free Energy Calculations for Drug Discovery
Muegge, Ingo
Hu, Yuan
[J]. ACS MEDICINAL CHEMISTRY LETTERS, 2023, 14 (03): : 244 - 250
[9] Experimental and Computational Approaches to Improve Binding Affinity in Chemical Biology and Drug Discovery
Nayarisseri, Anuraj
[J]. CURRENT TOPICS IN MEDICINAL CHEMISTRY, 2020, 20 (19) : 1651 - 1660
[10] Understanding the impact of binding free energy and kinetics calculations in modern drug discovery
Adediwura, Victor A.
Koirala, Kushal
Do, Hung N.
Wang, Jinan
Miao, Yinglong
[J]. EXPERT OPINION ON DRUG DISCOVERY, 2024, 19 (06) : 671 - 682

← 1 2 3 4 5 →