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Journal of Computational Chemistry
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February 22, 2023
Development and test of highly accurate endpoint free energy methods. 1: Evaluation of ABCG2 charge model on solvation free energy prediction and optimization of atom radii suitable for more accurate solvation free energy prediction by the PBSA method
Yuchen Sun, Xibing He, Tingjun Hou, et al.
Journal of Cheminformatics
|
April 1, 2024
A general model for predicting enzyme functions based on enzymatic reactions
Wenjia Qian, Xiaorui Wang, Yu Kang, et al.
European Journal of Haematology
|
September 17, 2013
Cyproheptadine-induced myeloma cell apoptosis is associated with inhibition of the PI3K/AKT signaling
Jie Li, Biyin Cao, Shunye Zhou, et al.
Journal of Chemical Information and Modeling
|
September 19, 2014
Assessing an ensemble docking-based virtual screening strategy for kinase targets by considering protein flexibility
Sheng Tian, Huiyong Sun, Peichen Pan, et al.
Briefings in Bioinformatics
|
May 17, 2022
fastDRH: a webserver to predict and analyze protein-ligand complexes based on molecular docking and MM/PB(GB)SA computation
Zhe Wang, Hong Pan, Huiyong Sun, et al.
Bioorganic & Medicinal Chemistry
|
March 15, 2021
Discovery of novel HBV capsid assembly modulators by structure-based virtual screening and bioassays
Yuan Wang, Zhe Wang, Jiacheng Liu, et al.
Chemical Science
|
July 17, 2025
Effective generation of heavy-atom-free triplet photosensitizers containing multiple intersystem crossing mechanisms based on deep learning
Kepeng Chen, Xiaoting Zhang, Jike Wang, et al.
Journal of Chemical Information and Modeling
|
August 9, 2024
RLpMIEC: High-Affinity Peptide Generation Targeting Major Histocompatibility Complex-I Guided and Interpreted by Interaction Spectrum-Navigated Reinforcement Learning
Qirui Deng, Zhe Wang, Sutong Xiang, et al.
Proceedings of the National Academy of Sciences of the United States of America
|
May 13, 2024
Exploring the activation mechanism of metabotropic glutamate receptor 2
Xiaohong Zhu, Mengqi Luo, Ke An, et al.
Nucleic Acids Research
|
May 21, 2019
HawkDock: a web server to predict and analyze the protein-protein complex based on computational docking and MM/GBSA
Gaoqi Weng, Ercheng Wang, Zhe Wang, et al.
Page
of 47
Search research articles
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Showing results (151-160 of 464) with videos related to
Sort By:
Page
of 47
Journal of Computational Chemistry
|
February 22, 2023
Development and test of highly accurate endpoint free energy methods. 1: Evaluation of ABCG2 charge model on solvation free energy prediction and optimization of atom radii suitable for more accurate solvation free energy prediction by the PBSA method
Yuchen Sun, Xibing He, Tingjun Hou, et al.
Journal of Cheminformatics
|
April 1, 2024
A general model for predicting enzyme functions based on enzymatic reactions
Wenjia Qian, Xiaorui Wang, Yu Kang, et al.
European Journal of Haematology
|
September 17, 2013
Cyproheptadine-induced myeloma cell apoptosis is associated with inhibition of the PI3K/AKT signaling
Jie Li, Biyin Cao, Shunye Zhou, et al.
Journal of Chemical Information and Modeling
|
September 19, 2014
Assessing an ensemble docking-based virtual screening strategy for kinase targets by considering protein flexibility
Sheng Tian, Huiyong Sun, Peichen Pan, et al.
Briefings in Bioinformatics
|
May 17, 2022
fastDRH: a webserver to predict and analyze protein-ligand complexes based on molecular docking and MM/PB(GB)SA computation
Zhe Wang, Hong Pan, Huiyong Sun, et al.
Bioorganic & Medicinal Chemistry
|
March 15, 2021
Discovery of novel HBV capsid assembly modulators by structure-based virtual screening and bioassays
Yuan Wang, Zhe Wang, Jiacheng Liu, et al.
Chemical Science
|
July 17, 2025
Effective generation of heavy-atom-free triplet photosensitizers containing multiple intersystem crossing mechanisms based on deep learning
Kepeng Chen, Xiaoting Zhang, Jike Wang, et al.
Journal of Chemical Information and Modeling
|
August 9, 2024
RLpMIEC: High-Affinity Peptide Generation Targeting Major Histocompatibility Complex-I Guided and Interpreted by Interaction Spectrum-Navigated Reinforcement Learning
Qirui Deng, Zhe Wang, Sutong Xiang, et al.
Proceedings of the National Academy of Sciences of the United States of America
|
May 13, 2024
Exploring the activation mechanism of metabotropic glutamate receptor 2
Xiaohong Zhu, Mengqi Luo, Ke An, et al.
Nucleic Acids Research
|
May 21, 2019
HawkDock: a web server to predict and analyze the protein-protein complex based on computational docking and MM/GBSA
Gaoqi Weng, Ercheng Wang, Zhe Wang, et al.
Page
of 47