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JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS

IF2.4
Papers118
Citations
Journal Papers 118
Publication Date
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Unravelling the synergy of curcumin and quercetin in the adipogenesis pathway: highlighting molecular dynamics and epigenetic reversibility
deleteJOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS
IF2.4
delete2026-10-07
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PREAI
deleteSunandini Ghosh; Indraneel Rakshit; Pritha Bhattacharjee
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Significance of BCR-ABL P-loop point mutations (L248R/V) on binding to FDA approved drugs: molecular dynamics simulations and DFT studies
deleteJOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS
IF2.4
delete2026-10-06
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PREAI
deleteY. Indra Neela; Lalitha Guruprasad
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Integrating deep learning model for precision design of MERS antibodies with augmented affinity against SARS-CoV-2
deleteJOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS
IF2.4
delete2026-10-06
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PREAI
deleteAreesha Irshad; Atta ur-Rehman; Taskeen Koser; Mudasir Alvi; Hunza Usman; Rana Rehan Khalid
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DeepRAGIL-2: a retrieval-augmented protein language model framework for sensitive and accurate prediction of IL-2-inducing peptides
deleteJOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS
IF2.4
delete2026-10-04
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PREAI
deleteJuan Peter Timothy Yuune; Van The Le; Yu-Yen Ou
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Structure-based identification of a membrane-retained OmpA candidate against Acinetobacter baumannii by membrane molecular dynamics and phenotypic antibacterial assessment
deleteJOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS
IF2.4
delete2026-10-03
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PREAI
deleteVuyyuru Kesavi HimaBindhu; Abraham Peele Karlapudi; Chinmai Rayidi
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Computational and biophysical validation of tobramycin targeting Mycobacterium MetE(Rv1133c): implications for anti-tuberculosis activity & rifampicin synergy
deleteJOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS
IF2.4
delete2026-09-30
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PREAI
deleteKunal Malik; Kashish Choudhary; Waseem Ali; Sana Tanweer; Rahul Sharma; Rahul Verma; Sana Jamily; Shivani A. Muthu; Meetu Agarwal; Abhinav Grover; Laishram Rajendrakumar Singh; Basir Ahmad; Sonam Grover
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Steered molecular dynamics and free-energy analysis of withanolide unbinding from tau kinases TTBK1 and GSK-3β
deleteJOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS
IF2.4
delete2026-09-29
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PREAI
deleteKavitha J.; Sindhu K. S.; George M.; Dhiya Francis; Abi T. G.
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Conformational insights into the unfolding pathway of RNA recognition motif (RRM) domain of TAF15 associated with amyotrophic lateral sclerosis
deleteJOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS
IF2.4
delete2026-09-28
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PREAI
deleteVishakha Chaudhary; Priyanka Kataria; Kusum Yadav; Vijay Kumar; Amresh Prakash
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Design of a high-affinity IL-21 decoy receptor as a novel therapeutic strategy for autoimmune disorders
deleteJOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS
IF2.4
delete2026-09-23
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PREAI
deleteSara Vazifeshenas; Zahra Hajihassan; Seyed Shahriar Arab; Ali Najafyar
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Integrated bioinformatics analysis of chromosomal deletion regions in glioblastoma identifies key genes linked to GABA(A) receptor signaling
deleteJOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS
IF2.4
delete2026-09-17
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PREAI
deleteHasan Onur Caglar; Berkay Meral; Fulya Caglar
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Electronic structure, DNA-binding, and biological activity correlations in transition metal complexes of a tetradentate Schiff base: experimental and computational studies
deleteJOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS
IF2.4
delete2026-09-16
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PREAI
deleteSamuel Michael; Porkodi Jeyaraman; Lavanya Gnanamani; Natarajan Raman; Silambarasan Tamilselvan; Karuppiah Nagaraj
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Deciphering the molecular recognition of advantame by calf thymus DNA and human serum albumin through integrated multispectroscopic and molecular docking analyses
deleteJOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS
IF2.4
delete2026-09-14
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PREAI
deleteSasan Abbasi Majd
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Development of CHARMM36-compatible parameters for siroheme group and molecular dynamics simulations of dissimilatory sulfite reductase with GROMACS
deleteJOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS
IF2.4
delete2026-09-11
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deleteTalis Uelisson da Silva; Alexandre Carvalho Bertoli; Tatiana Medeiros Boaventura; Marília Ladeira Alves e Costa; Magaly Girão Albuquerque; Camilo Henrique da Silva Lima; Sérgio de Paula Machado
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Mechanistic insights into Mfd inhibition by pharmacophore-guided ligands using molecular and steered molecular dynamics simulations
deleteJOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS
IF2.4
delete2026-09-10
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PREAI
deleteVarshini Dayanand Kore; Abhishek Lakhera; Arpita Robel Khamle; Manish Bhalla; Parth Sarthi Sen Gupta
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Molecular dynamics analysis of 3’ dangling-end stabilization at an AU-rich RNA helix terminus
deleteJOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS
IF2.4
delete2026-09-09
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PREAI
deleteZhen Wang; Shuhao Zhang; Ting Yu; Lei Bao; Weibo Guo; Wenbing Zhang
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Influenza A virus neuraminidase-GRP78 binding site prediction
deleteJOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS
IF2.4
delete2026-09-08
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PREAI
deleteYasser M. Gebril; Menna Allah A. Ibrahim; Wael M. Elshemey; Abdo A. Elfiky
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Assessing the pathogenic potential of PIK3CA gene variants in human cancer using a computational approach
deleteJOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS
IF2.4
delete2026-09-03
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PREAI
deleteRajtilak Detroja; Joydeep Chakraborty; Mandar Kulkarni; Ketankumar Panchal; Neeraj Jain; Mansi Desai
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Molecular docking, molecular dynamics simulation, and enzyme inhibitory studies of vitamin K family members on aldose reductase
deleteJOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS
IF2.4
delete2026-09-03
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PREAI
deleteSabha Khan; Sumit Thakur; Gurprit Sekhon; Balvinder Singh; Ranvir Singh
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MHC Class II restricted epitope prediction, crypticity analysis and B cell epitope identification from the proteome of Leishmania donovani
deleteJOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS
IF2.4
delete2026-09-03
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PREAI
deleteMohammad Kashif; Shweta Sargam; Naidu Subbarao; Partha Pratim Manna
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Epitope rigidity and long-range coupling shape antigen dynamics in lysozyme–antibody complexes
deleteJOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS
IF2.4
delete2026-09-02
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PREAI
deleteAyelen Digilio; Luciana Peruzzo; Diego M. A. Guérin; Eliana K. Asciutto
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