https://orcid.org/0000-0002-0627-8877
Citations (12)
Keep up to date with the latest research on this topic with citation updates for this article.
Read on this site (10)
Lifei Wang, Dan Lu, Yan Wang, Xiaoyan Xu, Peihua Zhong & Zhiyong Yang. (2023) Binding selectivity-dependent molecular mechanism of inhibitors towards CDK2 and CDK6 investigated by multiple short molecular dynamics and free energy landscapes. Journal of Enzyme Inhibition and Medicinal Chemistry 38:1, pages 84-99.
Read now
Read now
V. Natchimuthu, Mohnad Abdalla, Manasi Yadav, Ishita Chopra, Anushka Bhrdwaj, Khushboo Sharma, S. Ravi, Krishnan Ravikumar, Khalid J. Alzahrani, Tajamul Hussain & Anuraj Nayarisseri. (2022) Synthesis, crystal structure, hirshfeld surface analysis, molecular docking and molecular dynamics studies of novel olanzapinium 2,5-dihydroxybenzoate as potential and active antipsychotic compound. Journal of Experimental Nanoscience 17:1, pages 247-273.
Read now
Read now
Manasi Yadav, Mohnad Abdalla, Maddala Madhavi, Ishita Chopra, Anushka Bhrdwaj, Lovely Soni, Uzma Shaheen, Leena Prajapati, Megha Sharma, Mayank Singh Sikarwar, Sarah Albogami, Tajamul Hussain, Anuraj Nayarisseri & Sanjeev Kumar Singh. (2022) Structure-Based Virtual Screening, Molecular Docking, Molecular Dynamics Simulation and Pharmacokinetic modelling of Cyclooxygenase-2 (COX-2) inhibitor for the clinical treatment of Colorectal Cancer. Molecular Simulation 48:12, pages 1081-1101.
Read now
Read now
G. Yalçin-Özkat. (2022) Computational studies with flavonoids and terpenoids as BRPF1 inhibitors: in silico biological activity prediction, molecular docking, molecular dynamics simulations, MM/PBSA calculations. SAR and QSAR in Environmental Research 33:7, pages 533-550.
Read now
Read now
D. Luo, J.B. Tong, X.C. Xiao, S. Bian, X. Zhang, J. Wang & H.Y. Xu. (2021) Theoretically exploring selective-binding mechanisms of BRD4 through integrative computational approaches. SAR and QSAR in Environmental Research 32:12, pages 985-1011.
Read now
Read now
Y.X. Yu, W.T. Liu, H.Y. Li, W. Wang, H.B. Sun, L.L. Zhang & S.L. Wu. (2021) Decoding molecular mechanism underlying binding of drugs to HIV-1 protease with molecular dynamics simulations and MM-GBSA calculations. SAR and QSAR in Environmental Research 32:11, pages 889-915.
Read now
Read now
Y.X. Yu, W. Wang, H.B. Sun, L.L. Zhang, S.L. Wu & W.T. Liu. (2021) Insights into effect of the Asp25/Asp25ʹ protonation states on binding of inhibitors Amprenavir and MKP97 to HIV-1 protease using molecular dynamics simulations and MM-GBSA calculations. SAR and QSAR in Environmental Research 32:8, pages 615-641.
Read now
Read now
S.S. Liang, X.G. Liu, Y.X. Cui, S.L. Zhang, Q.G. Zhang & J.Z. Chen. (2021) Molecular mechanism concerning conformational changes of CDK2 mediated by binding of inhibitors using molecular dynamics simulations and principal component analysis. SAR and QSAR in Environmental Research 32:7, pages 573-594.
Read now
Read now
Y.Y. Yin, J. Zhao, L.L. Zhang, X.Y. Xu & J.Q. Liu. (2021) Molecular mechanisms of inhibitor bindings to A-FABP deciphered by using molecular dynamics simulations and calculations of MM-GBSA. SAR and QSAR in Environmental Research 32:4, pages 293-315.
Read now
Read now
S.L. Wu, J. Zhao, H.B. Sun, H.Y. Li, Y.Y. Yin & L.L. Zhang. (2021) Insights into interaction mechanism of inhibitors E3T, E3H and E3B with CREB binding protein by using molecular dynamics simulations and MM-GBSA calculations. SAR and QSAR in Environmental Research 32:3, pages 221-246.
Read now
Read now
Articles from other publishers (2)
Lifei Wang, Yan Wang, Zhiyong Yang, Shuobo Xu & Hongyun Li. (2021) Binding Selectivity of Inhibitors toward Bromodomains BAZ2A and BAZ2B Uncovered by Multiple Short Molecular Dynamics Simulations and MM-GBSA Calculations. ACS Omega 6:18, pages 12036-12049.
Crossref
Crossref
Yan Wang, Shiliang Wu, Lifei Wang, Zhiyong Yang, Juan Zhao & Lulu Zhang. (2021) Binding selectivity of inhibitors toward the first over the second bromodomain of BRD4: theoretical insights from free energy calculations and multiple short molecular dynamics simulations. RSC Advances 11:2, pages 745-759.
Crossref
Crossref