日期 影响因子
日期:
2020 年 — 2026 年
2020
2021
2022
2023
2024
2025
2026
影响因子:
–

MoleQCage: Geometric High-Throughput Screening for Molecular Caging Prediction

MoleQCage：用于分子笼状结构预测的几何高通量筛选

期刊:Journal of Chemical Information and Modeling
影响因子:5.3
doi:10.1021/acs.jcim.4c01419
Kravberg, Alexander; Devaurs, Didier; Varava, Anastasiia; Kavraki, Lydia E; Kragic, Danica
发表日期：2024
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3pHLA-score improves structure-based peptide-HLA binding affinity prediction

3pHLA评分提高了基于结构的肽-HLA结合亲和力预测能力。

期刊:Scientific Reports
影响因子:3.9
doi:10.1038/s41598-022-14526-x
Conev, Anja; Devaurs, Didier; Rigo, Mauricio Menegatti; Antunes, Dinler Amaral; Kavraki, Lydia E
发表日期：2022
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HLA-Arena: A Customizable Environment for the Structural Modeling and Analysis of Peptide-HLA Complexes for Cancer Immunotherapy

HLA-Arena：一个可定制的肽-HLA复合物结构建模和分析环境，用于癌症免疫治疗

期刊:JCO Clinical Cancer Informatics
影响因子:2.8
doi:10.1200/CCI.19.00123
Antunes, Dinler A; Abella, Jayvee R; Hall-Swan, Sarah; Devaurs, Didier; Conev, Anja; Moll, Mark; Lizée, Gregory; Kavraki, Lydia E
肿瘤
肿瘤免疫
免疫/内分泌
发表日期：2020
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Computational analysis of complement inhibitor compstatin using molecular dynamics

利用分子动力学对补体抑制剂康普坦进行计算分析

期刊:Journal of Molecular Modeling
影响因子:2.5
doi:10.1007/s00894-020-04472-8
Devaurs, Didier; Antunes, Dinler A; Kavraki, Lydia E
免疫/内分泌
发表日期：2020
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Using parallelized incremental meta-docking can solve the conformational sampling issue when docking large ligands to proteins

使用并行增量式元对接可以解决将大型配体对接至蛋白质时构象采样的问题。

期刊:BMC Molecular and Cell Biology
影响因子:2.7
doi:10.1186/s12860-019-0218-z
Devaurs, Didier; Antunes, Dinler A; Hall-Swan, Sarah; Mitchell, Nicole; Moll, Mark; Lizée, Gregory; Kavraki, Lydia E
发表日期：2019
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Revealing Unknown Protein Structures Using Computational Conformational Sampling Guided by Experimental Hydrogen-Exchange Data

利用实验氢交换数据指导的计算构象采样揭示未知蛋白质结构

期刊:International Journal of Molecular Sciences
影响因子:4.9
doi:10.3390/ijms19113406
Devaurs, Didier; Antunes, Dinler A; Kavraki, Lydia E
发表日期：2018
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Native State of Complement Protein C3d Analysed via Hydrogen Exchange and Conformational Sampling

通过氢交换和构象采样分析补体蛋白 C3d 的天然状态

期刊:International Journal of Computational Biology and Drug Design
影响因子:
doi:10.1504/IJCBDD.2018.090834
Didier Devaurs, Malvina Papanastasiou, Dinler A Antunes, Jayvee R Abella, Mark Moll, Daniel Ricklin, John D Lambris, Lydia E Kavraki
信号转导
发表日期：2018
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Coarse-Grained Conformational Sampling of Protein Structure Improves the Fit to Experimental Hydrogen-Exchange Data

蛋白质结构的粗粒化构象采样提高了与实验氢交换数据的拟合度。

期刊:Frontiers in Molecular Biosciences
影响因子:4
doi:10.3389/fmolb.2017.00013
Devaurs, Didier; Antunes, Dinler A; Papanastasiou, Malvina; Moll, Mark; Ricklin, Daniel; Lambris, John D; Kavraki, Lydia E
发表日期：2017
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