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41-50 trong số 55 kết quả
Vertex-Edge-Weighted Molecular Graphs: A Study on Topological Indices and Their Relevance to Physicochemical Properties of Drugs Used in Cancer Treatment
Tác giả: Sezer Sorgun, Kahraman Birgin
Xuất bản: United States: Journal of chemical information and modeling , 2025
Bộ sưu tập: NCBI
ddc:  594.38
 
Structural Insight into the Inactive/Active States of 5-HT1AR and Molecular Mechanisms of Electric Fields in Modulating 5-HT1AR
Tác giả: Lulu Guan, Bote Qi, Jingwang Tan, Yukang Chen, Yunxiang Sun, Qingwen Zhang, Yu Zou
Xuất bản: United States: Journal of chemical information and modeling , 2025
Bộ sưu tập: NCBI
ddc: 
 
MOLGAECL: Molecular Graph Contrastive Learning via Graph Auto-Encoder Pretraining and Fine-Tuning Based on Drug-Drug Interaction Prediction
Tác giả: Yu Li, Lin-Xuan Hou, Hai-Cheng Yi, Zhu-Hong You, Shi-Hong Chen, Jia Zheng, Yang Yuan, Cheng-Gang Mi
Xuất bản: United States: Journal of chemical information and modeling , 2025
Bộ sưu tập: NCBI
ddc:  551.5271
 
Molecular modeling of cellulose tosylate immobilized α-amylases: An in silico case study through MD simulation and refinement
Tác giả: Nitin Kumar Verma, Neera Raghav
Xuất bản: Netherlands: International journal of biological macromolecules , 2025
Bộ sưu tập: NCBI
ddc:  305.568
 
Dynamic Electronic Structure Fluctuations in the De Novo Peptide ACC-Dimer Revealed by First-Principles Theory and Machi...
Tác giả: Peter Mastracco, Luke Nambi Mohanam, Giacomo Nagaro, Sangram Prusty, Younghoon Oh, Ruqian Wu, Qiang Cui, Allon I Hochbaum, Stacy M Copp, Sahar Sharifzadeh
Xuất bản: United States: Journal of chemical information and modeling , 2025
Bộ sưu tập: NCBI
ddc:  594.38
 
Computational discovery of novel PI3KC2α inhibitors using structure-based pharmacophore modeling, machine learning and molecular dynamic simulation
Tác giả: Bana Katrib, Mohammed Abadleh, Ahmed Adel, Safa Daoud, Mutasem Taha
Xuất bản: United States: Journal of molecular graphics & modelling , 2025
Bộ sưu tập: NCBI
ddc:  809.008
 
Interaction of Avapritinib with Congo Red in Pancreatic Cancer Cells: Molecular Modeling and Biophysical Studies
Tác giả: Małgorzata Lasota, Daniel Jankowski, Anna Wiśniewska, Łukasz Szeleszczuk, Anna Misterka-Kozaka, Marta Kaczor-Kamińska, Marta Zarzycka, Maksym Patena, Tomasz Brzozowski
Xuất bản: Switzerland: International journal of molecular sciences , 2025
Bộ sưu tập: NCBI
ddc: 
 
A Computational Approach to Predictive Modeling Using Connection-Based Topological Descriptors: Applications in Coumarin Anti-Cancer Drug Properties
Tác giả: Sakander Hayat, Suha Wazzan
Xuất bản: Switzerland: International journal of molecular sciences , 2025
Bộ sưu tập: NCBI
ddc: 
 
Purinergic Receptor Activation Protects Glomerular Microvasculature from Increased Mechanical Stress in Angiotensin II-Induced Hypertension: A Modeling Study
Tác giả: Owen Richfield, Ricardo Cortez, Supaporn Kulthinee, Martha Franco, L Gabriel Navar
Xuất bản: Switzerland: International journal of molecular sciences , 2025
Bộ sưu tập: NCBI
ddc: 
 
Generation and Characterization of Human iPSC-Derived Astrocytes with Potential for Modeling X-Linked Adrenoleukodystrophy Phenotypes
Tác giả: Navtej Kaur, Jaspreet Singh
Xuất bản: Switzerland: International journal of molecular sciences , 2025
Bộ sưu tập: NCBI
ddc: 
 

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