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Robust, Efficient and Automated Methods for Accurate Prediction of Protein-Ligand Binding Affinities in AMBER Drug Discovery Boost

机译：用于精确预测琥珀色药物发现促进蛋白质 - 配体结合亲和力的鲁棒，高效和自动化的方法

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Tai-Sung Lee; Hsu-Chun Tsai; Abir Ganguly; Timothy J Giese; Darrin M. York;
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1. BgN-Score and BsN-Score: Bagging and boosting based ensemble neural networks scoring functions for accurate binding affinity prediction of protein-ligand complexes [J] . Hossam M Ashtawy, Nihar R Mahapatra BMC Bioinformatics . 2015,第SUPPLEMENTa4期

机译：BgN-Score和BsN-Score：基于袋装和增强的集成神经网络评分功能，可准确预测蛋白质-配体复合物的结合亲和力
2. Blinded prediction of protein-ligand binding affinity using Amber thermodynamic integration for the 2018 D3R grand challenge 4 [J] . Zou Junjie, Tian Chuan, Simmerling Carlos Journal of Computer-Aided Molecular Design . 2019,第12期

机译：使用琥珀热力学集成2018年D3R大挑战4的蛋白质 - 配体结合亲和力的盲目预测4
3. Advances and applications of binding affinity prediction methods in drug discovery [J] . Parenti Marco Daniele, Rastelli Giulio Biotechnology Advances: An International Review Journal . 2012,第1期

机译：结合亲和力预测方法在药物开发中的进展与应用
4. Ensemble Neural Networks Scoring Functions for Accurate Binding Affinity Prediction of Protein-Ligand Complexes [C] . Hossam M. Ashtawy, Nihar R. Mahapatra IAPR international conference on pattern recognition in bioinformatics . 2014

机译：集成神经网络评分功能，可对蛋白质-配体复合物进行准确的结合亲和力预测。
5. Towards the prediction of protein-ligand binding affinities: A new class of methods for free energy calculations. [D] . Luo, Rui. 1998

机译：迈向蛋白质-配体结合亲和力的预测：一类用于自由能计算的新方法。
6. BgN-Score and BsN-Score: Bagging and boosting based ensemble neural networks scoring functions for accurate binding affinity prediction of protein-ligand complexes [O] . Hossam M Ashtawy, Nihar R Mahapatra 2015

机译：BgN-Score和BsN-Score：基于装袋和增强的集成神经网络评分功能可准确预测蛋白质-配体复合物的结合亲和力
7. BgN-Score and BsN-Score: Bagging and boosting based ensemble neural networks scoring functions for accurate binding affinity prediction of protein-ligand complexes [O] . 2015

机译：BgN-Score和BsN-Score：基于装袋和增强的集成神经网络评分功能，可准确预测蛋白质-配体复合物的结合亲和力

Robust, Efficient and Automated Methods for Accurate Prediction of Protein-Ligand Binding Affinities in AMBER Drug Discovery Boost

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