J. Chem. Inf. Model.

Keyphrases

Publications

volume 64, number 8, 2024

Teng-Zhi Long, Dejun Jiang, Shao-Hua Shi, You-Chao Deng, Wen-Xuan Wang, Dong-Sheng Cao
Enhancing Multi-species Liver Microsomal Stability Prediction through Artificial Intelligence. J. Chem. Inf. Model. 64 (8) (2024)
Damla Ovek, Ozlem Keskin, Attila Gürsoy
ProInterVal: Validation of Protein-Protein Interfaces through Learned Interface Representations. J. Chem. Inf. Model. 64 (8) (2024)
Martin Priessner, Richard J. Lewis, Magnus J. Johansson, Jonathan M. Goodman, Jon Paul Janet, Anna Tomberg
HSQC Spectra Simulation and Matching for Molecular Identification. J. Chem. Inf. Model. 64 (8) (2024)
Rafael Giordano Viegas, Ingrid B. S. Martins, Murilo Nogueira Sanches, Antonio B. Oliveira Junior, Juliana B. de Camargo, Fernando V. Paulovich, Vitor B. P. Leite
ELViM: Exploring Biomolecular Energy Landscapes through Multidimensional Visualization. J. Chem. Inf. Model. 64 (8) (2024)
Tengyu Xie, Jing Huang
Can Protein Structure Prediction Methods Capture Alternative Conformations of Membrane Transporters? J. Chem. Inf. Model. 64 (8) (2024)
Hongyan Chen, Dongxue Yan, Jie Sun, Meng Zhou
Inference of Developmental Hierarchy and Functional States of Exhausted T Cells from Epigenetic Profiles with Deep Learning. J. Chem. Inf. Model. 64 (8) (2024)
Jiamin Chang, Xiaoyu Fan, Boxue Tian
DeepP450: Predicting Human P450 Activities of Small Molecules by Integrating Pretrained Protein Language Model and Molecular Representation. J. Chem. Inf. Model. 64 (8) (2024)
Zhe Su, Yiying Tong, Guo-Wei Wei
Hodge Decomposition of Single-Cell RNA Velocity. J. Chem. Inf. Model. 64 (8) (2024)
Satyabrata Majumder, Giuseppe Deganutti, Ludovico Pipitò, Dwaipayan Chaudhuri, Joyeeta Datta, Kalyan Giri
Computational Insights into the Conformational Dynamics of HIV-1 Vpr in a Lipid Bilayer for Ion Channel Modeling. J. Chem. Inf. Model. 64 (8) (2024)
David C. Williams, Neil Inala
Physics-Informed Generative Model for Drug-like Molecule Conformers. J. Chem. Inf. Model. 64 (8) (2024)
Ander Francisco Pereira, Leandro Martínez
Helical Content Correlations and Hydration Structures of the Folding Ensemble of the B Domain of Protein A. J. Chem. Inf. Model. 64 (8) (2024)
Felipe L. Oliveira, Pierre M. Esteves
pyCOFBuilder: A Python Package for Automated Creation of Covalent Organic Framework Models Based on the Reticular Approach. J. Chem. Inf. Model. 64 (8) (2024)
Maria José Tenorio, Miguel Á. González, Julia D. Magdaleno, Inmaculada Suárez, Baudilio Coto
= (293.15 to 343.15) K. Experiment and Modeling. J. Chem. Inf. Model. 64 (8) (2024)
Hazem Mslati, Francesco Gentile, Mohit Pandey, Fuqiang Ban, Artem Cherkasov
PROTACable Is an Integrative Computational Pipeline of 3-D Modeling and Deep Learning To Automate the De Novo Design of PROTACs. J. Chem. Inf. Model. 64 (8) (2024)
Joel Graef, Christiane Ehrt, Thorben Reim, Matthias Rarey
Database-Driven Identification of Structurally Similar Protein-Protein Interfaces. J. Chem. Inf. Model. 64 (8) (2024)
Yu Zou, Lulu Guan, Jingwang Tan, Bote Qi, Yunxiang Sun, Fengjuan Huang, Qingwen Zhang
Molecular Insights into the Differential Effects of Acetylation on the Aggregation of Tau Microtubule-Binding Repeats. J. Chem. Inf. Model. 64 (8) (2024)
Jiaojiao Wang, Ting Ren, Guohui Sun, Na Zhang, Lijiao Zhao, Rugang Zhong
Mechanism of AGT-Mediated Repair of dG-dC Cross-Links in the Drug Resistance to Chloroethylnitrosoureas: Molecular Docking, MD Simulation, and ONIOM (QM/MM) Investigation. J. Chem. Inf. Model. 64 (8) (2024)

volume 64, number 9, 2024