研飞ivySCI (青藤学术）

Current Computer-Aided Drug Design

短名	CAD
Journal Impact	1.31
国际分区	COMPUTER SCIENCE, INTERDISCIPLINARY APPLICATIONS(Q3)
期刊索引	SCI Q4中科院 4 区

ISSN	1573-4099, 1875-6697
h-index	32
国内分区	医学(4区)医学药物化学(4区)医学计算机跨学科应用(4区)

目标与范围当前计算机辅助药物设计旨在发布基于计算技术的药物设计的所有最新进展。计算机辅助药物设计领域在药物设计领域产生了广泛的影响。CURRENT COMPUTER-AIDED DRUG DESIGN 是所有药物化学家的必备期刊，他们希望随时了解所有最新和最新的信息。计算机辅助方法及其在药物发现中的应用的重要进展。每期包含一系列及时、深入的评论、原创研究文章和该领域领导者撰写的信件文章，涵盖药物设计、筛选、ADME 研究、理论化学等一系列计算技术；计算化学；计算机和分子图形学；分子建模；蛋白质工程；药物设计；专家系统；一般结构-性能关系；分子动力学；化学数据库的开发和使用等，为药物开发提供了很好的依据。

期刊主页投稿网址

涉及主题	生物化学生物化学医学遗传学计算机科学生物信息学立体化学物理有机化学计算生物学基因内科学量子力学药理学计算化学机器学习兽医学护理部对接（动物）核磁共振心理学数量结构-活动关系数学药物发现酶分子动力学生物信息学药效团
出版信息	出版商: Bentham Science Publishers B.V.，出版周期: Quarterly，期刊类型: journal
基本数据	创刊年份: 2006，原创研究文献占比: 95.24%，自引率:0.00%， Gold OA占比: 1.26%
平均审稿周期	网友分享经验：>12周，或约稿
平均录用比例	网友分享经验：较易

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专利引用格式

In silico Exploration of a Novel ICMT Inhibitor with More Solubility than Cysmethynil against Membrane Localization of KRAS Mutant in Colorectal Cancer

2024-12-1

Banxia Xiexin Decoction Prevents HT22 Cells from High Glucose-induced Neurotoxicity via JNK/SIRT1/Foxo3a Signaling Pathway

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Targets and Mechanisms of Xuebijing in the Treatment of Acute Kidney Injury Associated with Sepsis: A Network Pharmacology-based Study

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Identification of Prognostic Markers and Potential Therapeutic Targets using Gene Expression Profiling and Simulation Studies in Pancreatic Cancer

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Fluorinated Diaryl Sulfonamides: Molecular Modeling, Synthesis, and In Vitro Validation as New CETP Inhibitors

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Molecular Docking and Molecular Dynamics Simulation of New Potential JAK3 Inhibitors

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Unearthing Insights into Metabolic Syndrome by Linking Drugs, Targets, and Gene Expressions Using Similarity Measures and Graph Theory

2024-12-1

Efficacy and Safety of PARP Inhibitor Therapy in Advanced Ovarian Cancer: A Systematic Review and Network Meta-analysis of Randomized Controlled Trials

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Graph-DTI: A New Model for Drug–Target Interaction Prediction Based on Heterogenous Network Graph Embedding

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Deciphering the underlying mechanisms of Sanleng-Ezhu for the treatment of idiopathic pulmonary fibrosis based on network pharmacology and single-cell RNA sequencing data

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Predicting Antitumor Activity of Anthrapyrazole Derivatives using Advanced Machine Learning Techniques

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Discovery of a Potential Allosteric Site in the SARS-CoV-2 Spike Protein and Targeting Allosteric Inhibitor to Stabilize the RBD Down State Using a Computational Approach

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Automation of Drug Discovery through Cutting-edge In-silico Research in Pharmaceuticals: Challenges and Future Scope

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A computational approach for designing and validating small interfering RNA against SARS-CoV-2 variants

2024-12-1

Rational Design of Dual Inhibitors for Alzheimer's Disease: Insights from Computational Screening of BACE1 and GSK-3β

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Hibiscus sabdariffa Linn. Extract Increases the mRNA Expression of the Arcuate Nucleus Leptin Receptor and is Predicted in silico as an Anti-obesity Agent

2024-12-1

The Potential Roles of Ficus carica Extract in the Management of COVID-19 Viral Infections: A Computer-aided Drug Design Study

2024-12-1

Molecular Modelling of Resveratrol Derivatives with SIRT1 for the Stimulation of Deacetylase Activity

2024-12-1

Assessment of Anticholinergic and Antidiabetic Properties of Some Natural and Synthetic Molecules: An In vitro and In silico Approach

2024-10-1

Advances in Drug Discovery and Design Using Computer-Aided Molecular Modeling

2024-10-1

Synthesis, Molecular Modeling and Biological Evaluation of Novel Trifluoromethyl Benzamides as Promising CETP Inhibitors

2024-10-1

A Novel Deep Learning Model for Drug-drug Interactions

2024-10-1

In-silico Assessment of Polyherbal Oils as Anti-diabetic Therapeutics

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Hybrid Analogues of Hydrazone and Phthalimide: Design, Synthesis, In vivo, In vitro, and In silico Evaluation as Analgesic Agents

2024-10-1

Synthesis, Docking Study of Some Novel Chromeno[4',3'-b]Pyrano [6,5-d]Pyrimidine Derivatives Against COVID-19 Main Protease (Mpro) (6LU7, 6M03)

2024-10-1

Virtual screening of flavonoids against Plasmodium vivax Duffy binding protein utilizing molecular docking and molecular dynamic simulation

2024-10-1

A Rationalized Approach to Design and Discover Novel Non-steroidal Derivatives through Computational Aid for the Treatment of Prostate Cancer

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Exploring the mechanisms of self-made Kuiyu Pingchang recipe for the treatment of ulcerative colitis and irritable bowel syndrome using a network pharmacology-based approach and molecular docking

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Molecular Mechanism and Structure-activity Relationship of the Inhibition Effect between Monoamine Oxidase and Selegiline Analogues

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To Explore the Mechanism of Maiwei Dihuang Decoction in the Treatment of Non-small Cell Lung Cancer based on Network Pharmacology Combined with LC-MS

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Predicting the Mechanism of Tiannanxing-shengjiang Drug Pair in Treating Pain Using Network Pharmacology and Molecular Docking Technology

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Optimizing the Extraction of Polyphenols from the Bark of Terminalia arjuna and an In-silico Investigation on its Activity in Colorectal Cancer

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Strychni Semen Combined with Atractylodes Macrocephala Koidz Attenuates Rheumatoid Arthritis by Regulating Apoptosis

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Research on the Regulatory Mechanism of Ginseng on the Tumor Microenvironment of Colorectal Cancer based on Network Pharmacology and Bioinformatics Validation

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Amalgamated Pharmacoinformatics Study to Investigate the Mechanism of Xiao Jianzhong Tang against Chronic Atrophic Gastritis

2024-10-1

In silico Identification of Potential Inhibitors Against Staphylococcus Aureus Tyrosyl-tRNA Synthetase

2024-10-1

Chemical Composition, In vitro and In silico Evaluation of Essential Oil from Ocimum tenuiflorum and Coriandrum sativum Linn for Lung Cancer

2024-10-1

Synthesis, and In-silico Studies of Indole-chalcone Derivatives Targeting Estrogen Receptor Alpha (ER-α) for Breast Cancer

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Docking, Synthesis, and In vitro Anti-depressant Activity of Certain Isatin Derivatives

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In-silico Investigation of Ginseng Phytoconstituents as Novel Therapeutics Against MAO-A

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Exploring the Potential Molecular Mechanism of the Shugan Jieyu Capsule in the Treatment of Depression through Network Pharmacology, Molecular Docking, and Molecular Dynamics Simulation

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Mechanisms Underlying the Protective Effects of Obeticholic Acid-Activated FXR in Valproic Acid-Induced Hepatotoxicity via Network Pharmacology, Molecular Docking, and Molecular Dynamics Simulations

2024-9-3

Antidepressant Properties of a Four-compound Cocktail Identified from Si-Ni-San by HIF-1 Pathway Modulation

2024-8-12

3D-QSAR, Pharmacophore Modeling, ADMET, and DFT Studies of Halogenated Conjugated Dienones as Potent MAO-B Inhibitors

2024-8-8

Design, Synthesis, and Biological and in silico Evaluation of Novel Indazole-pyridine Hybrids for the Treatment of Breast Cancer

2024-8-6

Accelerating Rheumatoid Arthritis Drug Repurposing: A Computational Approach

2024-8-6

Network Pharmacology, Molecular Docking and in vivo-based Analysis on the Effects of the MBZM-N-IBT for Arthritis

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Detection of Brain Tumor Employing Residual Network-based Optimized Deep Learning

2024-8-6

Potential Mechanisms Underlying the Therapeutic Roles of Gancao fuzi Decoction in Cold-dampness Obstruction Syndrome-type Knee Osteoarthritis

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Identification of Essential Genes and Drug Discovery in Bladder Cancer and Inflammatory Bowel Disease via Text Mining and Bioinformatics Analysis

2024-8-1

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Current Computer-Aided Drug Design

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最新文章

In silico Exploration of a Novel ICMT Inhibitor with More Solubility than Cysmethynil against Membrane Localization of KRAS Mutant in Colorectal Cancer

Banxia Xiexin Decoction Prevents HT22 Cells from High Glucose-induced Neurotoxicity via JNK/SIRT1/Foxo3a Signaling Pathway

Targets and Mechanisms of Xuebijing in the Treatment of Acute Kidney Injury Associated with Sepsis: A Network Pharmacology-based Study

Identification of Prognostic Markers and Potential Therapeutic Targets using Gene Expression Profiling and Simulation Studies in Pancreatic Cancer

Fluorinated Diaryl Sulfonamides: Molecular Modeling, Synthesis, and In Vitro Validation as New CETP Inhibitors

Molecular Docking and Molecular Dynamics Simulation of New Potential JAK3 Inhibitors

Unearthing Insights into Metabolic Syndrome by Linking Drugs, Targets, and Gene Expressions Using Similarity Measures and Graph Theory

Efficacy and Safety of PARP Inhibitor Therapy in Advanced Ovarian Cancer: A Systematic Review and Network Meta-analysis of Randomized Controlled Trials

Graph-DTI: A New Model for Drug–Target Interaction Prediction Based on Heterogenous Network Graph Embedding

Deciphering the underlying mechanisms of Sanleng-Ezhu for the treatment of idiopathic pulmonary fibrosis based on network pharmacology and single-cell RNA sequencing data

Predicting Antitumor Activity of Anthrapyrazole Derivatives using Advanced Machine Learning Techniques

Discovery of a Potential Allosteric Site in the SARS-CoV-2 Spike Protein and Targeting Allosteric Inhibitor to Stabilize the RBD Down State Using a Computational Approach

Automation of Drug Discovery through Cutting-edge In-silico Research in Pharmaceuticals: Challenges and Future Scope

A computational approach for designing and validating small interfering RNA against SARS-CoV-2 variants

Rational Design of Dual Inhibitors for Alzheimer's Disease: Insights from Computational Screening of BACE1 and GSK-3β

Hibiscus sabdariffa Linn. Extract Increases the mRNA Expression of the Arcuate Nucleus Leptin Receptor and is Predicted in silico as an Anti-obesity Agent

The Potential Roles of Ficus carica Extract in the Management of COVID-19 Viral Infections: A Computer-aided Drug Design Study

Molecular Modelling of Resveratrol Derivatives with SIRT1 for the Stimulation of Deacetylase Activity

Assessment of Anticholinergic and Antidiabetic Properties of Some Natural and Synthetic Molecules: An In vitro and In silico Approach

Advances in Drug Discovery and Design Using Computer-Aided Molecular Modeling

Synthesis, Molecular Modeling and Biological Evaluation of Novel Trifluoromethyl Benzamides as Promising CETP Inhibitors

A Novel Deep Learning Model for Drug-drug Interactions

In-silico Assessment of Polyherbal Oils as Anti-diabetic Therapeutics

Hybrid Analogues of Hydrazone and Phthalimide: Design, Synthesis, In vivo, In vitro, and In silico Evaluation as Analgesic Agents

Synthesis, Docking Study of Some Novel Chromeno[4',3'-b]Pyrano [6,5-d]Pyrimidine Derivatives Against COVID-19 Main Protease (Mpro) (6LU7, 6M03)

﻿Virtual screening of flavonoids against Plasmodium vivax Duffy binding protein utilizing molecular docking and molecular dynamic simulation

A Rationalized Approach to Design and Discover Novel Non-steroidal Derivatives through Computational Aid for the Treatment of Prostate Cancer

Exploring the mechanisms of self-made Kuiyu Pingchang recipe for the treatment of ulcerative colitis and irritable bowel syndrome using a network pharmacology-based approach and molecular docking

Molecular Mechanism and Structure-activity Relationship of the Inhibition Effect between Monoamine Oxidase and Selegiline Analogues

To Explore the Mechanism of Maiwei Dihuang Decoction in the Treatment of Non-small Cell Lung Cancer based on Network Pharmacology Combined with LC-MS

Predicting the Mechanism of Tiannanxing-shengjiang Drug Pair in Treating Pain Using Network Pharmacology and Molecular Docking Technology

Optimizing the Extraction of Polyphenols from the Bark of Terminalia arjuna and an In-silico Investigation on its Activity in Colorectal Cancer

Strychni Semen Combined with Atractylodes Macrocephala Koidz Attenuates Rheumatoid Arthritis by Regulating Apoptosis

Research on the Regulatory Mechanism of Ginseng on the Tumor Microenvironment of Colorectal Cancer based on Network Pharmacology and Bioinformatics Validation

Amalgamated Pharmacoinformatics Study to Investigate the Mechanism of Xiao Jianzhong Tang against Chronic Atrophic Gastritis

In silico Identification of Potential Inhibitors Against Staphylococcus Aureus Tyrosyl-tRNA Synthetase

Chemical Composition, In vitro and In silico Evaluation of Essential Oil from Ocimum tenuiflorum and Coriandrum sativum Linn for Lung Cancer

Synthesis, and In-silico Studies of Indole-chalcone Derivatives Targeting Estrogen Receptor Alpha (ER-α) for Breast Cancer

Docking, Synthesis, and In vitro Anti-depressant Activity of Certain Isatin Derivatives

In-silico Investigation of Ginseng Phytoconstituents as Novel Therapeutics Against MAO-A

Exploring the Potential Molecular Mechanism of the Shugan Jieyu Capsule in the Treatment of Depression through Network Pharmacology, Molecular Docking, and Molecular Dynamics Simulation

Mechanisms Underlying the Protective Effects of Obeticholic Acid-Activated FXR in Valproic Acid-Induced Hepatotoxicity via Network Pharmacology, Molecular Docking, and Molecular Dynamics Simulations

Antidepressant Properties of a Four-compound Cocktail Identified from Si-Ni-San by HIF-1 Pathway Modulation

3D-QSAR, Pharmacophore Modeling, ADMET, and DFT Studies of Halogenated Conjugated Dienones as Potent MAO-B Inhibitors

Design, Synthesis, and Biological and in silico Evaluation of Novel Indazole-pyridine Hybrids for the Treatment of Breast Cancer

Accelerating Rheumatoid Arthritis Drug Repurposing: A Computational Approach

Network Pharmacology, Molecular Docking and in vivo-based Analysis on the Effects of the MBZM-N-IBT for Arthritis

Detection of Brain Tumor Employing Residual Network-based Optimized Deep Learning

Potential Mechanisms Underlying the Therapeutic Roles of Gancao fuzi Decoction in Cold-dampness Obstruction Syndrome-type Knee Osteoarthritis

Identification of Essential Genes and Drug Discovery in Bladder Cancer and Inflammatory Bowel Disease via Text Mining and Bioinformatics Analysis

帮你贴心管理全部的文献.css-5myebc{font-size:14px;font-weight:var(--chakra-fontWeights-normal);margin-top:var(--chakra-space-1);margin-bottom:var(--chakra-space-1);}研飞ivySCI，高效的论文管理

Virtual screening of flavonoids against Plasmodium vivax Duffy binding protein utilizing molecular docking and molecular dynamic simulation

帮你贴心管理全部的文献
研飞ivySCI，高效的论文管理