Computational Studies, Virtual Screening, and Theoretical Molecular Models

Jurgen Bajorath

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Computational Studies, Virtual Screening, and Theoretical Molecular Models

机译：计算研究，虚拟筛选和理论分子模型

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The Journal ofMedicinal Chemistry (Journal) continues to receive a large number of manuscripts involving computational studies. A number of these have been truly outstanding papers that are highly recognized within the medicinal chemistry community and that make the Journal the leading international journal for publication of first-class computational medicinal chemistry research.

机译：药物化学杂志（Journal）继续收到大量涉及计算研究的手稿。其中许多是真正杰出的论文，在药物化学界得到了高度认可，使《华尔街日报》成为出版一流的计算药物化学研究的国际领先期刊。

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《Journal of Medicinal Chemistry》 |2010年第1期|共2页
作者
Jurgen Bajorath;
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正文语种 eng
中图分类药学;
关键词
Computational Studies; Virtual Screening; Theoretical Molecular Models; The Journal ofMedicinal Chemistry;

机译：计算研究;虚拟筛选;理论分子模型;药物化学杂志;

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专利

1. Computational Studies, Virtual Screening, and Theoretical Molecular Models [J] . Jurgen Bajorath Journal of Medicinal Chemistry . 2010,第1期

机译：计算研究，虚拟筛选和理论分子模型
2. Computational investigation of novel farnesyltransferase inhibitors using 3D-QSAR pharmacophore modeling, virtual screening, molecular docking and molecular dynamics simulation studies: A new insight into cancer treatment [J] . Safavi Arman, Ghodousi Elaheh Sadat, Ghavamizadeh Mehdi, Journal of Molecular Structure . 2021,第1期

机译：使用3D-qsar Pharmacore建模，虚拟筛选，分子对接和分子动力学模拟研究的计算研究：对癌症治疗的新洞察
3. Integrated Computational Tools for Identification of CCR5 Antagonists as Potential HIV-1 Entry Inhibitors: Homology Modeling, Virtual Screening, Molecular Dynamics Simulations and 3D QSAR Analysis [J] . Suri Moonsamy, Radha Charan Dash, Mahmoud E. S. Soliman Molecules . 2014,第4期

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4. To Explore Compounds as Tuberculosis Inhibitors-A Combination of Pharmacophore Modelling, Virtual Screening and Molecular Docking Studies [C] . Indrani Sarkar, Sanjay Goswami, Paushali Majumder International conference on computational advancement in communication circuits and systems . 2020

机译：探索化合物作为结核病抑制剂 - 药长学建模，虚拟筛选和分子对接研究的组合
5. Experimental and theoretical studies in biomolecular structure and catalysis: I.~Structural studies of Lewis(a) and Lewis(x) carbohydrates using NMR and molecular modeling. II.~ab initio and hybrid density functional quantum computations of biochemical systems. [D] . Kurutz, Joseph W. 1998

机译：生物分子结构和催化的实验和理论研究：I ~~ Lewis（a）和Lewis（x）碳水化合物的结构研究，使用NMR和分子模型。 II。生化系统的从头算和混合密度泛函量子计算。
6. Integrated Computational Tools for Identification of CCR5 Antagonists as Potential HIV-1 Entry Inhibitors: Homology Modeling Virtual Screening Molecular Dynamics Simulations and 3D QSAR Analysis [O] . Suri Moonsamy, Radha Charan Dash, Mahmoud E. S. Soliman 2014

机译：用于识别CCR5拮抗剂作为潜在HIV-1进入抑制剂的集成计算工具：同源性建模虚拟筛选分子动力学模拟和3D QSAR分析
7. Computational Modeling on Aquaporin-3 as Skin Cancer Target: A Virtual Screening and Molecular Dynamic Simulation Study [O] . Dharmendra K. Yadav, Surendra Kumar, Eun-Ha Choi, 2019

机译：Aquaporin-3上的计算模拟作为皮肤癌目标：虚拟筛选和分子动态模拟研究

Computational Studies, Virtual Screening, and Theoretical Molecular Models

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