Journal of Biomolecular Structure and Dynamics

Title Publication Date Language Citations
Synthesis, characterization, and anticancer activity of Schiff bases2019/08/28English66
Curcumin specifically binds to the human calcium–calmodulin-dependent protein kinase IV: fluorescence and molecular dynamics simulation studies2015/06/05English66
Amino Acid Principal Component Analysis (AAPCA) and its Applications in Protein Structural Class Prediction2006/06/01English66
An Integrated Study of Tyrosinase Inhibition by Rutin: Progress using a Computational Simulation2012/04/01English66
The nature of the transition mismatches with Watson–Crick architecture: the G*·T or G·T* DNA base mispair or both? A QM/QTAIM perspective for the biological problem2014/06/23English65
Molecular docking, simulation and MM-PBSA studies of nigella sativa compounds: a computational quest to identify potential natural antiviral for COVID-19 treatment2020/06/12English65
Weighted Equation and Rules—A Novel Concept for Evaluating Protein-Ligand Interaction2009/12/01English65
The Crystal Structure of d(CCCCGGGG): A New A-Form Variant with an Extended Backbone Conformation1987/10/01English65
Probing the interaction of anticancer drug temsirolimus with human serum albumin: molecular docking and spectroscopic insight2017/05/18English65
Identification of bioactive compounds fromGlycyrrhiza glabraas possible inhibitor of SARS-CoV-2 spike glycoprotein and non-structural protein-15: a pharmacoinformatics study2020/06/18English64
Construction and Assessment of Reaction Models of Class I EPSP Synthase: Molecular Docking and Density Functional Theoretical Calculations2009/10/01English64
Resveratrol Binding to Human Serum Albumin2006/12/01English64
Interaction of meropenem with ‘N’ and ‘B’ isoforms of human serum albumin: a spectroscopic and molecular docking study2015/11/10English64
A Computer Graphics Study of Sequence-Directed Bending in DNA1983/10/01English64
Conformational Transitions in Viroids and Virusoids: Comparison of Results from Energy Minimization Algorithm and from Experimental Data1984/12/01English63
Electronic Spectra, Excited State Structures and Interactions of Nucleic Acid Bases and Base Assemblies: A Review2007/08/01English63
Benzenesulfonamide derivatives as potent acetylcholinesterase, α-glycosidase, and glutathione S-transferase inhibitors: biological evaluation and molecular docking studies2020/07/21English63
Conformational Characteristics and Correlations in Crystal Structures of Nucleic Acid Oligonucleotides: Evidence for Sub-states2003/06/01English63
Use of Lead(II) to Probe the Structure of Large RNA's. Conformation of the 3′ Terminal Domain ofE. coli16S rRNA and its Involvement in Building the tRNA Binding Sites1989/04/01English62
Contribution of Salt Bridges Toward Protein Thermostability2000/01/01English62
Can DNA-binding proteins of replisome tautomerize nucleotide bases?Ab initiomodel study2012/04/01English62
Sars-cov-2 host entry and replication inhibitors from Indian ginseng: an in-silico approach2020/06/22English62
1H NMR Studies of the Bis-Intercalation of a Homodimeric Oxazole Yellow Dye in DNA Oligonucleotides1998/10/01English62
Conformational Variability of Poly(dA-dT)·Poly(dA-dT) and Some Other Deoxyribonucleic Acids Includes a Novel Type of Double Helix1985/08/01English62
A Comparison of the CHARMM, AMBER and ECEPP Potentials for Peptides. I. Conformational Predictions for the Tandemly Repeated Peptide (Asn-Ala-Asn-Pro)91989/12/01English61
Electrostatic Interactions between Arginines and the Minor Groove in the Nucleosome2010/06/01English61
Screening of the structural, topological, and electronic properties of the functionalized Graphene nanosheets as potential Tegafur anticancer drug carriers using DFT method2017/08/22English60
Analysis of the interaction behavior between Nano-Curcumin and two human serum proteins: combining spectroscopy and molecular stimulation to understand protein-protein interaction2020/05/20English60
Combined drug repurposing and virtual screening strategies with molecular dynamics simulation identified potent inhibitors for SARS-CoV-2 main protease (3CLpro)2020/06/18English60
Effect of 1-methyl-3-octyleimmidazolium chloride on the stability and activity of lysozyme: a spectroscopic and molecular dynamics studies2016/08/05English60