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Four-body atomic potential for modeling protein-ligand binding affinity: application to enzyme-inhibitor binding energy prediction

机译：用于模拟蛋白质-配体结合亲和力的四体原子势：在酶-抑制剂结合能预测中的应用

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BackgroundModels that are capable of reliably predicting binding affinities for protein-ligand complexes play an important role the field of structure-guided drug design.

机译：背景能够可靠预测蛋白质-配体复合物结合亲和力的模型在结构指导药物设计领域中起着重要作用。

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期刊名称 BMC Structural Biology
作者
Majid Masso;
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年(卷),期 2013(13),Suppl 1
年度 2013
页码 S1
总页数 9
原文格式 PDF
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中图分类生物物理学;
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专利

1. Four-body atomic potential for modeling protein-ligand binding affinity: application to enzyme-inhibitor binding energy prediction [J] . Majid Masso BMC Structural Biology . 2013,第S1期

机译：用于模拟蛋白质-配体结合亲和力的四体原子势：在酶-抑制剂结合能预测中的应用
2. Four-body atomic potential for modeling protein-ligand binding affinity: application to enzyme-inhibitor binding energy prediction [J] . Majid Masso BMC Structural Biology . 2013,第SUPPLEMENTa1期

机译：用于模拟蛋白质-配体结合亲和力的四体原子势：在酶-抑制剂结合能预测中的应用
3. Three-Dimensional Distribution Function Theory for the Prediction of Protein-Ligand Binding Sites and Affinities:Application to the Binding of Noble Gases to Hen Egg-White Lysozyme in Aqueous Solution [J] . Takashi Imai, Ryusuke Hiraoka, Tomoyoshi Seto The journal of physical chemistry, B. Condensed matter, materials, surfaces, interfaces & biophysical . 2007,第39期

机译：预测蛋白质-配体结合位点和亲和力的三维分布函数理论：在稀有气体与母鸡蛋清溶菌酶结合中的应用
4. A Multibody Atomic Statistical Potential for the Prediction of Enzyme-Inhibitor Binding Energy [C] . Majid Masso Annual International Conference of the IEEE Engineering in Medicine and Biology Society . 2012

机译：用于预测酶抑制剂的多体原子统计潜力
5. Development of the property encoded shape distributions and their application to protein binding site comparison and protein-ligand binding affinity prediction. [D] . Das, Sourav. 2010

机译：该属性的编码形状分布的发展及其在蛋白质结合位点比较和蛋白质-配体结合亲和力预测中的应用。
6. Evaluation of Several Two-Step Scoring Functions Based on Linear Interaction Energy Effective Ligand Size and Empirical Pair Potentials for Prediction of Protein-Ligand Binding Geometry and Free Energy [O] . Obaidur Rahaman, Trilce P. Estrada, Douglas J. Doren, -1

机译：基于线性相互作用有效配体尺寸和经验对电位的若干两步评分功能的评价用于预测蛋白质 - 配体结合几何和自由能
7. Four-body atomic potential for modeling protein-ligand binding affinity: application to enzyme-inhibitor binding energy prediction [O] . 2013

机译：用于模拟蛋白质-配体结合亲和力的四体原子势：在酶-抑制剂结合能预测中的应用
8. Calculation of Absolute Protein-Ligand Binding Affinity Using Path and Endpoint Approaches [R] . Lee, M. S. , Olson, M. A. 2006

机译：用途径和终点法计算绝对蛋白质 - 配体结合亲和力

Four-body atomic potential for modeling protein-ligand binding affinity: application to enzyme-inhibitor binding energy prediction

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