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

Striking Impact of Solvent Polarity on the Strength of Hydrogen-Bonded Complexes: A Nexus Between Theory and Experiment

溶剂极性对氢键复合物强度的显著影响：理论与实验的交汇点

期刊:Angewandte Chemie-International Edition
影响因子:16.9
doi:10.1002/anie.202422594
Lo, Rabindranath; Manna, Debashree; Vacek, Jaroslav; Bouř, Petr; Wu, Tao; Osifová, Zuzana; Socha, Ondřej; Dračínský, Martin; Hobza, Pavel
发表日期：2025
文献求助 收藏

Accurate Prediction of Mechanical Property of Organic Crystals Using Molecular Dynamics-Based Nanoindentation Simulations

利用基于分子动力学的纳米压痕模拟精确预测有机晶体的力学性能

期刊:Journal of the American Chemical Society
影响因子:15.6
doi:10.1021/jacs.5c09944
Elgengehi, Sara M; Karothu, Durga Prasad; He, Weiwei; Paul, Rabindranath; Kirmizialtin, Serdal; Naumov, Panče
发表日期：2025
文献求助 收藏

Lithium-ion conducting self-assembled organic nanowires: optimizing mechanical performance and ionic conductivity through programmable supramolecular interactions

锂离子导电自组装有机纳米线：通过可编程超分子相互作用优化机械性能和离子电导率

期刊:Chemical Science
影响因子:7.4
doi:10.1039/d5sc00159e
Ramlal, Vishwakarma Ravikumar; Selvasundarasekar, Sam Sankar; Singh, Akanksha; Ankola, Jenil; Lo, Rabindranath; Kundu, Subrata; Mandal, Amal Kumar
发表日期：2025
文献求助 收藏

Solvation strategies for free-energy calculations in a halogen-bonded complex: implicit, explicit, and machine learning approaches

卤键复合物自由能计算的溶剂化策略：隐式、显式和机器学习方法

期刊:Chemical Science
影响因子:7.4
doi:10.1039/d5sc06336a
Vacek, Jaroslav; Vrška, Dávid; Manna, Debashree; Lo, Rabindranath; Hobza, Pavel
发表日期：2025
文献求助 收藏

Tailoring Functional Graphene-Derived Geopolymer Nanocomposites: Interfacial Interactions and Mechanical Strength Enhancement

功能化石墨烯衍生地质聚合物纳米复合材料的调控：界面相互作用与力学强度增强

期刊:ACS Materials Au
影响因子:6.5
doi:10.1021/acsmaterialsau.5c00028
Rathee, Manali; Surendran, Harikrishnan K; Thakur, Aditya; Narayana, Chandrabhas; Lo, Rabindranath; Misra, Anurag; Jayaramulu, Kolleboyina
信号转导
发表日期：2025
文献求助 收藏

Extraction of the polysorbate 20 and 80 fingerprint via generative modeling

利用生成模型提取聚山梨醇酯 20 和 80 的特征指纹

期刊:International Journal of Pharmaceutics: X
影响因子:6.4
doi:10.1016/j.ijpx.2025.100433
Roelants, Peter; Choubeh, Reza Ranjbar; Verbeeck, Nico; Andujar, Rabindranath; Schultz-Fademrecht, Torsten; Garidel, Patrick; Gross, Viktor
发表日期：2025
文献求助 收藏

Beyond Deshielding: NMR Evidence of Shielding in Hydridic and Protonic Hydrogen Bonds

超越去屏蔽效应：氢键和质子氢键中屏蔽效应的核磁共振证据

期刊:Journal of Chemical Theory and Computation
影响因子:5.5
doi:10.1021/acs.jctc.5c00870
Manna, Debashree; Lo, Rabindranath; Lamanec, Maximilián; Pavlišová, Jana; Socha, Ondřej; Dračínský, Martin; Hobza, Pavel
发表日期：2025
文献求助 收藏

Fluo-Cast-Bright: a deep learning pipeline for the non-invasive prediction of chromatin structure and developmental potential in live oocytes

Fluo-Cast-Bright：一种用于无创预测活卵母细胞染色质结构和发育潜力的深度学习流程

期刊:Communications Biology
影响因子:5.2
doi:10.1038/s42003-025-07568-0
Xiangyu Zhang, Claudia Baumann, Rabindranath De La Fuente
免疫
细胞生物学
其它细胞
发表日期：2025
文献求助 收藏

A Dive Into Forty Years of Research on Organic Superbases: From Design to Applications

深入探究有机超强碱四十年的研究历程：从设计到应用

期刊:Journal of Computational Chemistry
影响因子:4.8
doi:10.1002/jcc.70250
Lo, Rabindranath; Ganguly, Bishwajit
发表日期：2025
文献求助 收藏

Enhancement of catalytic activity using CoFeLDH for the formation of biologically active diaryl sulfide and propargylamine derivatives: molecular docking, DFT, dynamics, and ADMET analyses of their biocidal and anti-diabetic activities

利用CoFeLDH增强催化活性以生成具有生物活性的二芳基硫醚和炔丙基胺衍生物：分子对接、DFT、动力学和ADMET分析其杀菌和抗糖尿病活性

期刊:RSC Advances
影响因子:4.6
doi:10.1039/d5ra05742f
Islam, Aminul; Singha, Rabindranath; Saha, Susanta Kumar; Sarkar, Kaushik; Baishya, Tania; Sahu, Ranabir; Das, Rajesh Kumar; Bhattacharya, Malay; Deb, Mayukh; Ghosh, Pranab
糖尿病
MET
代谢
发表日期：2025
文献求助 收藏