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L

Lunna Li

department of chemical engineering

H指数:9

被引数:484

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Artificial intelligence and ultra-high performance computing methods and experiments for drug discovery: virtual screening, deep learning, molecular dynamics simulations, ADMET modelling, and experimental validation

人工智能与超高性能计算在药物发现中的应用：虚拟筛选、深度学习、分子动力学模拟、ADMET建模及实验验证

Molecular Biomedicine

IF10.1

2026-09-030

OAAI

High-Efficiency, Short-Pulse Electrothermal Cancer Therapy Utilizing Polyethylene Glycol (PEG-) Based Titanium Carbide (Ti3C2) MXene Nanomaterials

基于聚乙二醇（PEG-）和钛碳化物（Ti3C2）MXene纳米材料的高效短脉冲电热癌症疗法

Advanced Therapeutics

IF2.6

2026-04-100

PRE

Multidomain Molecular Sensor Devices, Systems, and Algorithms for Improved Physiological Monitoring

多域分子传感器设备、系统及算法在生理监测中的应用与改进

IF0

2025-08-080

OA

Multi-Substance Caloric Cooling in Solid Refrigerants and Foods: Mechanisms, Materials, and Systems

多物质卡路里冷却在固体制冷剂和食品中的应用：机制、材料与系统

ADVANCED SUSTAINABLE SYSTEMS

IF6.1

2025-05-190

PRE

Solution Thermodynamics of l-Glutamic Acid Polymorphs from Finite-Sized Molecular Dynamics Simulations

INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH

IF3.9

2025-01-070

OAAI

Energy-Efficient and Effective MCF-7 Cell Ablation and Electrothermal Therapy Enabled by M13-WS2-PEG Nanostructures

IF3.2

2024-09-201

OAAI

Nanomaterials and methods for cancer therapy: 2D materials, biomolecules, and molecular dynamics simulations

JOURNAL OF MATERIALS CHEMISTRY B

IF5.7

2024-01-010

PRE

Shape complementarity processes for ultrashort-burst sensitive M13-PEG-WS2-powered MCF-7 cancer cell sensors

IF5.1

2023-01-013

PRE

Droplet Microfluidics for the Label-Free Extraction of Complete Phase Diagrams and Kinetics of Liquid-Liquid Phase Separation in Finite Volumes

液滴微流体用于无标记提取完整相图和有限体积中液-液相分离的动力学

IF12.1

2022-09-3012

OAAI

Ultrasensitive Detection of MCF-7 Cells with a Carbon Nanotube-Based Optoelectronic-Pulse Sensor Framework

IF4.3

2022-05-265

OAAI

Modeling the Structure and Interactions of Intrinsically Disordered Peptides with Multiple Replica, Metadynamics-Based Sampling Methods and Force-Field Combinations

JOURNAL OF CHEMICAL THEORY AND COMPUTATION

IF5.5

2022-02-1713

OAAI

Ultralong recovery time in nanosecond electroporation systems enabled by orientational-disordering processes

IF5.1

2022-01-014

OA

Simulating selective binding of a biological template to a nanoscale architecture: a core concept of a clamp-based binding-pocket-favored N-terminal-domain assembly

IF5.1

2020-01-0120

PREAI

Computational methodology for solubility prediction: Application to sparingly soluble organic/inorganic materials

JOURNAL OF CHEMICAL PHYSICS

IF3.1

2018-08-0128

OAAI

Computational methodology for solubility prediction: Application to the sparingly soluble solutes

JOURNAL OF CHEMICAL PHYSICS

IF3.1

2017-06-0688

OAAI

The crucial effect of early-stage gelation on the mechanical properties of cement hydrates

Nature Communications

IF15.7

2016-07-15118

OAAI

Computing Nucleation Rates from Confined Equilibria: The Critical Cluster Equivalence Principle

从受限平衡计算成核速率：临界团簇等价原理

Journal of the American Chemical Society

IF15.6

0

PRE