首页> 外文OA文献 >Supplemental Information 1: Raw data of the materials for docking experiments, shape-based modeling, the results of Native-Docking and Cross-Docking, the screening scores of GOLD docking, the inhibitory activities and the predicted binding modes

【2h】

Supplemental Information 1: Raw data of the materials for docking experiments, shape-based modeling, the results of Native-Docking and Cross-Docking, the screening scores of GOLD docking, the inhibitory activities and the predicted binding modes

机译：补充信息1：用于对接实验的原料的原料数据，基于形状的建模，天然对接和交叉扩展的结果，筛选得分的金对接，抑制活动和预测的结合模式

代理获取

本网站仅为用户提供外文OA文献查询和代理获取服务，本网站没有原文。下单后我们将采用程序或人工为您竭诚获取高质量的原文，但由于OA文献来源多样且变更频繁，仍可能出现获取不到、文献不完整或与标题不符等情况，如果获取不到我们将提供退款服务。请知悉。

页面导航

著录项
相似文献
相关主题

著录项

作者

展开▼
作者单位

展开▼
年度 -1
总页数
原文格式 PDF
正文语种
中图分类

相似文献

外文文献
中文文献
专利

1. Synergistic use of compound properties and docking scores in neural network modeling of CYP2D6 binding: Predicting affinity and conformational sampling [J] . Bazeley PS, Prithivi S, Struble CA, Journal of chemical information and modeling . 2006,第6期

机译：CYP2D6结合的神经网络建模中化合物特性和对接分数的协同使用：预测亲和力和构象采样
2. Quantitative Structure-Activity Relationship Modeling Coupled with Molecular Docking Analysis in Screening of Angiotensin I-Converting Enzyme Inhibitory Peptides from Qula Casein Hydrolysates Obtained by Two-Enzyme Combination Hydrolysis [J] . Lin Kai, Zhang Lanwei, Han Xue, Journal of Agricultural and Food Chemistry . 2018,第12期

机译：通过双酶组合水解获得的QuaTOSIN I转换酶抑制酶抑制酶抑制酶抑制作用的定量结构 - 活性关系建模
3. Identification of hit compounds for squalene synthase: Three-dimensional quantitative structure-activity relationship pharmacophore modeling, virtual screening, molecular docking, binding free energy calculation, and molecular dynamic simulation [J] . Hou M., Yan G., Ma X., Journal of Chemometrics . 2017,第11期

机译：Squalene合酶的鉴定鉴定：三维定量结构 - 活性关系药仔细建模，虚拟筛选，分子对接，无结合能量计算和分子动态模拟
4. CALCULATION OF PROTEIN-LIGAND BINDING FREE ENERGYUSING SMOOTH REACTION PATH GENERATION (SRPG) METHOD;A COMPARISON OF THE EXPLICIT WATER MODEL, GB/SA MODELAND DOCKING SCORE FUNCTION [C] . DAISUKE MITOMO, YOSHIFUMI FUKUNISHI, JUNICHI HIGO, International Conference on Genome Informatics . 2009

机译：蛋白质 - 配体结合的可自由诱导光滑反应径生成（SRPG）方法的计算;明确水模型的比较，GB / SA Model和对接得分函数
5. Models and Solution Algorithms for Efficient Truck Scheduling at Cross-Docking Terminals with Time-Sensitive Products [D] . Theophilus, Oluwatosin. 2021

机译：跨对接终端具有时敏产品的高效卡车调度模型与解决方案算法
6. Modeling Chemical Interaction Profiles: II. Molecular Docking Spectral Data-Activity Relationship and Structure-Activity Relationship Models for Potent and Weak Inhibitors of Cytochrome P450 CYP3A4 Isozyme [O] . Yunfeng Tie, Brooks McPhail, Huixiao Hong, 2012

机译：模拟化学相互作用曲线：II。细胞色素P450 CYP3A4同工酶的强效抑制剂和弱抑制剂的分子对接光谱数据-活性关系和结构-活性关系模型
7. Synergistic Use of Compound Properties and Docking Scores in Neural Network Modeling of CYP2D6 Binding: Predicting Affinity and Conformational Sampling. [O] . Peter S. Bazeley, Sridevi Prithivi, Craig A. Struble, 2007

机译：CYP2D6结合神经网络建模中的复合性能和对接分数的协同用途：预测亲和力和构象采样。

Supplemental Information 1: Raw data of the materials for docking experiments, shape-based modeling, the results of Native-Docking and Cross-Docking, the screening scores of GOLD docking, the inhibitory activities and the predicted binding modes

著录项

相似文献

相关主题

期刊订阅