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Journal of Medicinal Chemistry
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October 28, 2021
Integrative Modeling of PROTAC-Mediated Ternary Complexes
Gaoqi Weng, Dan Li, Yu Kang, et al.
Physical Chemistry Chemical Physics : PCCP
|
May 8, 2019
Assessing the performance of MM/PBSA and MM/GBSA methods. 9. Prediction reliability of binding affinities and binding poses for protein-peptide complexes
Gaoqi Weng, Ercheng Wang, Fu Chen, et al.
Briefings in Bioinformatics
|
November 30, 2025
Improving the predictive performance of binding affinities and poses for protein-cyclic peptide complexes through fine-tuned MM/PBSA(GBSA)-based methods
Huifeng Zhao, Jianxiang Huang, Gaoqi Weng, 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.
Journal of Medicinal Chemistry
|
January 5, 2024
RediscMol: Benchmarking Molecular Generation Models in Biological Properties
Gaoqi Weng, Huifeng Zhao, Dou Nie, et al.
Journal of Chemical Information and Modeling
|
March 17, 2020
Development and Evaluation of MM/GBSA Based on a Variable Dielectric GB Model for Predicting Protein-Ligand Binding Affinities
Ercheng Wang, Hui Liu, Junmei Wang, et al.
Journal of Chemical Theory and Computation
|
April 24, 2020
Comprehensive Evaluation of Fourteen Docking Programs on Protein-Peptide Complexes
Gaoqi Weng, Junbo Gao, Zhe Wang, et al.
Physical Chemistry Chemical Physics : PCCP
|
August 28, 2019
Assessing the performance of the MM/PBSA and MM/GBSA methods. 10. Impacts of enhanced sampling and variable dielectric model on protein-protein Interactions
Ercheng Wang, Gaoqi Weng, Huiyong Sun, et al.
Nucleic Acids Research
|
October 17, 2020
CovalentInDB: a comprehensive database facilitating the discovery of covalent inhibitors
Hongyan Du, Junbo Gao, Gaoqi Weng, et al.
Physical Chemistry Chemical Physics : PCCP
|
June 27, 2022
Structural view on the role of the TRD loop in regulating DNMT3A activity: a molecular dynamics study
Hong Zhao, Jie Yu, Gaoqi Weng, et al.
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of 3
Search research articles
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Showing results (1-10 of 25) with videos related to
Sort By:
Page
of 3
Journal of Medicinal Chemistry
|
October 28, 2021
Integrative Modeling of PROTAC-Mediated Ternary Complexes
Gaoqi Weng, Dan Li, Yu Kang, et al.
Physical Chemistry Chemical Physics : PCCP
|
May 8, 2019
Assessing the performance of MM/PBSA and MM/GBSA methods. 9. Prediction reliability of binding affinities and binding poses for protein-peptide complexes
Gaoqi Weng, Ercheng Wang, Fu Chen, et al.
Briefings in Bioinformatics
|
November 30, 2025
Improving the predictive performance of binding affinities and poses for protein-cyclic peptide complexes through fine-tuned MM/PBSA(GBSA)-based methods
Huifeng Zhao, Jianxiang Huang, Gaoqi Weng, 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.
Journal of Medicinal Chemistry
|
January 5, 2024
RediscMol: Benchmarking Molecular Generation Models in Biological Properties
Gaoqi Weng, Huifeng Zhao, Dou Nie, et al.
Journal of Chemical Information and Modeling
|
March 17, 2020
Development and Evaluation of MM/GBSA Based on a Variable Dielectric GB Model for Predicting Protein-Ligand Binding Affinities
Ercheng Wang, Hui Liu, Junmei Wang, et al.
Journal of Chemical Theory and Computation
|
April 24, 2020
Comprehensive Evaluation of Fourteen Docking Programs on Protein-Peptide Complexes
Gaoqi Weng, Junbo Gao, Zhe Wang, et al.
Physical Chemistry Chemical Physics : PCCP
|
August 28, 2019
Assessing the performance of the MM/PBSA and MM/GBSA methods. 10. Impacts of enhanced sampling and variable dielectric model on protein-protein Interactions
Ercheng Wang, Gaoqi Weng, Huiyong Sun, et al.
Nucleic Acids Research
|
October 17, 2020
CovalentInDB: a comprehensive database facilitating the discovery of covalent inhibitors
Hongyan Du, Junbo Gao, Gaoqi Weng, et al.
Physical Chemistry Chemical Physics : PCCP
|
June 27, 2022
Structural view on the role of the TRD loop in regulating DNMT3A activity: a molecular dynamics study
Hong Zhao, Jie Yu, Gaoqi Weng, et al.
Page
of 3