Journal of Biomolecular Structure and Dynamics

Title Publication Date Language Citations
Characterization of interactions of simvastatin, pravastatin, fluvastatin, and pitavastatin with bovine serum albumin: multiple spectroscopic and molecular docking2016/08/03English81
Isothermal titration calorimetry and stopped flow circular dichroism investigations of the interaction between lomefloxacin and human serum albumin in the presence of amino acids2018/11/26English81
Why the tautomerization of the G·C Watson–Crick base pairviathe DPT does not cause point mutations during DNA replication? QM and QTAIM comprehensive analysis2013/08/02English81
Pharmacoinformatics and molecular dynamics simulation studies reveal potential covalent and FDA-approved inhibitors of SARS-CoV-2 main protease 3CLpro2020/06/24English80
In silico investigation of phytoconstituents from Indian medicinal herb ‘Tinospora cordifolia (giloy)’ against SARS-CoV-2 (COVID-19) by molecular dynamics approach2020/08/07English79
Study of the interaction between DNP and DIDS with human hemoglobin as binary and ternary systems: spectroscopic and molecular modeling investigation2015/02/18English79
100 ns Molecular Dynamics Simulations to Study Intramolecular Conformational Changes in Bax2010/08/01English79
Allowance for Heterogeneous Stacking in the DNA Helix-Coil Transition Theory1984/08/01English79
Different Types of Interactions Involving Cysteine Sulfhydryl Group in Proteins1998/06/01English79
A pH-dependent Structural Transition in the Homopurine-homopyrimidine Tract in Superhelical DNA1985/10/01English78
Tris (phenanthroline) Metal Complexes: Probes for DNA Helicity1983/12/01English78
An Estimate of the Extent of Folding of Nucleosomal DNA by Laterally Asymmetric Neutralization of Phosphate Groups1989/04/01English78
Structure-Based and Ligand-Based Drug Design for HER 2 Receptor2010/08/01English78
Vaccinomics approach for developing multi-epitope peptide pneumococcal vaccine2019/01/11English78
Ligand-Based Dual Target Drug Design for H1N1: Swine Flu- A Preliminary First Study2009/10/01English77
Probing the Interaction of Human Serum Albumin With Bilirubin in the Presence of Aspirin by Multi-Spectroscopic, Molecular Modeling and Zeta Potential Techniques: Insight on Binary and Ternary Systems2012/04/01English77
Plant-derived natural polyphenols as potential antiviral drugs against SARS-CoV-2 via RNA‐dependent RNA polymerase (RdRp) inhibition: an in-silico analysis2020/07/28English77
Targeting the protein-protein interface pocket of Aurora-A-TPX2 complex: rational drug design and validation2020/06/08English76
Critical Main-Chain Length for Conformational Conversion From 310-Helix to α-Helix in Polypeptides1990/06/01English76
On loopfolding in nucleic acid hairpin-type structures291986/04/01English76
Virtual screening-driven drug discovery of SARS-CoV2 enzyme inhibitors targeting viral attachment, replication, post-translational modification and host immunity evasion infection mechanisms2020/06/16English75
Antiviral effects of probiotic metabolites on COVID-192020/06/09English74
Comparison of Binding Interactions of Lomefloxacin to Serum Albumin and Serum Transferrin by Resonance Light Scattering and Fluorescence Quenching Methods2011/02/01English74
The significant role of the intermolecular CH⋯O/N hydrogen bonds in governing the biologically important pairs of the DNA and RNA modified bases: a comprehensive theoretical investigation2014/10/28English74
In vitro study on binding interaction of quinapril with bovine serum albumin (BSA) using multi-spectroscopic and molecular docking methods2016/08/07English73
A comparison investigation of DNP-binding effects to HSA and HTF by spectroscopic and molecular modeling techniques2013/10/15English73
Determining the binding site and binding affinity of estradiol to human serum albumin and holo-transferrin: fluorescence spectroscopic, isothermal titration calorimetry and molecular modeling approaches2017/06/02English73
Sequence Selective Binding to the DNA Major Groove: Tris(1,10-phenanthroline) Metal Complexes Binding to Poly(dG-dC) and Poly(dA-dT)1991/08/01English73
Thermodynamics of Cation-Induced DNA Condensation1991/08/01English72
Design of multi-epitope vaccine candidate against SARS-CoV-2: ain-silicostudy2020/06/01English72