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

High-resolution mining of the SARS-CoV-2 main protease conformational space: supercomputer-driven unsupervised adaptive sampling

SARS-CoV-2主蛋白酶构象空间的高分辨率挖掘：超级计算机驱动的无监督自适应采样

期刊:Chemical Science
影响因子:7.4
doi:10.1039/d1sc00145k
Jaffrelot Inizan, Théo; Célerse, Frédéric; Adjoua, Olivier; El Ahdab, Dina; Jolly, Luc-Henri; Liu, Chengwen; Ren, Pengyu; Montes, Matthieu; Lagarde, Nathalie; Lagardère, Louis; Monmarché, Pierre; Piquemal, Jean-Philip
SARS-CoV-2
发表日期：2021
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Tinker-HP: Accelerating Molecular Dynamics Simulations of Large Complex Systems with Advanced Point Dipole Polarizable Force Fields Using GPUs and Multi-GPU Systems

Tinker-HP：利用GPU和多GPU系统，通过先进的点偶极可极化力场加速大型复杂系统的分子动力学模拟

期刊:Journal of Chemical Theory and Computation
影响因子:5.5
doi:10.1021/acs.jctc.0c01164
Adjoua, Olivier; Lagardère, Louis; Jolly, Luc-Henri; Durocher, Arnaud; Very, Thibaut; Dupays, Isabelle; Wang, Zhi; Inizan, Théo Jaffrelot; Célerse, Frédéric; Ren, Pengyu; Ponder, Jay W; Piquemal, Jean-Philip
发表日期：2021
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Interfacial Water Many-Body Effects Drive Structural Dynamics and Allosteric Interactions in SARS-CoV-2 Main Protease Dimerization Interface

界面水多体效应驱动SARS-CoV-2主蛋白酶二聚化界面的结构动力学和变构相互作用

期刊:Journal of Physical Chemistry Letters
影响因子:4.6
doi:10.1021/acs.jpclett.1c01460
El Ahdab, Dina; Lagardère, Louis; Inizan, Théo Jaffrelot; Célerse, Fréderic; Liu, Chengwen; Adjoua, Olivier; Jolly, Luc-Henri; Gresh, Nohad; Hobaika, Zeina; Ren, Pengyu; Maroun, Richard G; Piquemal, Jean-Philip
SARS-CoV-2
发表日期：2021
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Reconciling NMR Structures of the HIV-1 Nucleocapsid Protein NCp7 Using Extensive Polarizable Force Field Free-Energy Simulations

利用广泛的可极化力场自由能模拟来协调HIV-1核衣壳蛋白NCp7的NMR结构

期刊:Journal of Chemical Theory and Computation
影响因子:5.5
doi:10.1021/acs.jctc.9b01204
El Khoury, Léa; Célerse, Frédéric; Lagardère, Louis; Jolly, Luc-Henri; Derat, Etienne; Hobaika, Zeina; Maroun, Richard G; Ren, Pengyu; Bouaziz, Serge; Gresh, Nohad; Piquemal, Jean-Philip
HIV
微生物学
发表日期：2020
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Tinker-HP: a massively parallel molecular dynamics package for multiscale simulations of large complex systems with advanced point dipole polarizable force fields

Tinker-HP：一款用于对具有先进点偶极可极化力场的大型复杂系统进行多尺度模拟的大规模并行分子动力学软件包

期刊:Chemical Science
影响因子:7.4
doi:10.1039/c7sc04531j
Lagardère, Louis; Jolly, Luc-Henri; Lipparini, Filippo; Aviat, Félix; Stamm, Benjamin; Jing, Zhifeng F; Harger, Matthew; Torabifard, Hedieh; Cisneros, G Andrés; Schnieders, Michael J; Gresh, Nohad; Maday, Yvon; Ren, Pengyu Y; Ponder, Jay W; Piquemal, Jean-Philip
发表日期：2018
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Mu-opioid receptors are not necessary for nortriptyline treatment of neuropathic allodynia

μ-阿片受体并非去甲替林治疗神经性痛觉过敏的必要条件

期刊:European Journal of Pain
影响因子:3.4
doi:10.1016/j.ejpain.2009.11.014
Bohren, Yohann; Karavelic, Dzenan; Tessier, Luc-Henri; Yalcin, Ipek; Gavériaux-Ruff, Claire; Kieffer, Brigitte L; Freund-Mercier, Marie-José; Barrot, Michel
信号转导
发表日期：2010
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