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

Spatio-temporal learning from molecular dynamics simulations for protein-ligand binding affinity prediction

基于分子动力学模拟的时空学习用于蛋白质-配体结合亲和力预测

Libouban, Pierre-Yves; Parisel, Camille; Song, Maxime; Aci-Sèche, Samia; Gómez-Tamayo, Jose C; Tresadern, Gary; Bonnet, Pascal

Granulomatous Prostatitis Mimicking Invasive Prostate Cancer

肉芽肿性前列腺炎酷似侵袭性前列腺癌

Gillard, Romain; Médart, Laurent; Parisel, Amélie

Revisiting H(2)O Nucleation around Au(+) and Hg(2+): The Peculiar "Pseudo-Soft" Character of the Gold Cation

重新审视Au(+)和Hg(2+)周围的H(2)O成核:金阳离子的特殊“伪软”特性

Chaudret, Robin; Contreras-Garcia, Julia; Delcey, Mickaël; Parisel, Olivier; Yang, Weitao; Piquemal, Jean-Philip

Study of the docking of competitive inhibitors at a model of tyrosinase active site: insights from joint broken-symmetry/Spin-Flip DFT computations and ELF topological analysis

利用联合破缺对称/自旋翻转密度泛函理论计算和ELF拓扑分析研究竞争性抑制剂在酪氨酸酶活性位点模型上的对接:

de la Lande, A; Maddaluno, J; Parisel, O; Darden, T A; Piquemal, J-P

Molecular recognition and self-assembly special feature: Multipoint molecular recognition within a calix[6]arene funnel complex

分子识别与自组装专题:杯[6]芳烃漏斗复合物内的多点分子识别

Coquière, David; de la Lande, Aurélien; Martí, Sergio; Parisel, Olivier; Prangé, Thierry; Reinaud, Olivia