Structure and Energetics of Serum Protein Complex of Tea Adulterant Dye Bismarck Brown Y using Experimental and Computational Methods

Interaction of Positively Charged Oligopeptides with Blood Plasma Proteins

(2023) Aleksandra Kotynia et al.   INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES

Binding elucidation of azo dyes with human serum albumin via spectroscopic approaches and molecular docking techniques

(2023) Amineh Mousazadeh Moghaddam Pour et al.   JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS

A comparative study on DNA and protein binding properties of thymol and thymoquinone

(2023) Syed Ismattowaha Parvin et al.   JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS

A comprehensive biophysical and theoretical study on the binding of dexlansoprazole with human serum albumin

(2023) Anna Tanuja Safala Bodapati et al.   JOURNAL OF MOLECULAR LIQUIDS

Binding studies of sertraline hydrochloride with CT-DNA using experimental and computational techniques

(2023) Palak Sharma et al.   SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY

Characterization of the binding interaction between atrazine and human serum albumin: Fluorescence spectroscopy, molecular dynamics and quantum biochemistry

(2022) Victor L.B. França et al.   CHEMICO-BIOLOGICAL INTERACTIONS

Thermodynamic and structural profiles of multi‐target binding of vinblastine in solution

(2022) Priyanka Gopi et al.   JOURNAL OF MOLECULAR RECOGNITION

Structural aspects of formetanate hydrochloride binding with human serum albumin using spectroscopic and molecular modeling techniques

(2022) Shweta Singh et al.   SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY

Protective effects of three structurally similar polyphenolic compounds against oxidative damage and their binding properties to human serum albumin

(2021) Chuanying Zhang et al.   FOOD CHEMISTRY

Insights in the structural understanding of amyloidogenicity and mutation-led conformational dynamics of amyloid beta (Aβ) through molecular dynamics simulations and principal component analysis

(2021) Sriram Srinivasa Raghavan et al.   JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS

Molecular insight on the binding of stevia glycosides to bovine serum albumin

(2021) Luciana M. Sergio et al.   CHEMICO-BIOLOGICAL INTERACTIONS

Structural and Dynamical Differences in the Spike Protein RBD in the SARS-CoV-2 Variants B.1.1.7 and B.1.351

(2021) Nisha Bhattarai et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Aflatoxin B1 Induced Structural and Conformational Changes in Bovine Serum Albumin: A Multispectroscopic and Circular Dichroism-Based Study

(2021) Mohd Aamir Qureshi et al.   ACS Omega

Molecular interaction of Sunset Yellow with whey protein: Multi-spectroscopic techniques and computational study

(2021) Javed Masood Khan et al.   JOURNAL OF MOLECULAR LIQUIDS

Tea and Chicory Extract Characterization, Classification and Authentication by Non-Targeted HPLC-UV-FLD Fingerprinting and Chemometrics

(2021) Josep Pons et al.   Foods

Synthetic carboline compounds targeting protein: biophysical and biological perspective

(2020) Paromita Bhattacharjee et al.   JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS

The effect of ionic liquid on the structure of active site pocket and catalytic activity of a β-glucosidase from Halothermothrix orenii

(2020) Sukanya Konar et al.   JOURNAL OF MOLECULAR LIQUIDS

The ChemicalToolbox: reproducible, user-friendly cheminformatics analysis on the Galaxy platform

(2020) Simon A. Bray et al.   Journal of Cheminformatics

Molecular insight on the binding of monascin to bovine serum albumin (BSA) and its effect on antioxidant characteristics of monascin

(2020) Shufen Wu et al.   FOOD CHEMISTRY

Molecular interactions of food additive dye quinoline yellow (Qy) with alpha-lactalbumin: Spectroscopic and computational studies

(2020) Nasser Abdulatif Al-Shabib et al.   JOURNAL OF MOLECULAR LIQUIDS

Mechanistic and conformational studies on the interaction of human serum albumin with rhodamine B by NMR, spectroscopic and molecular modeling methods

(2020) Hengjun Rao et al.   JOURNAL OF MOLECULAR LIQUIDS

Investigation on the interaction of brazilin with bovine serum albumin using multi-spectroscopic and computational methods: Exploring the binding mechanism and inhibitory effect on amyloid aggregation

(2020) Chuanying Zhang et al.   MICROCHEMICAL JOURNAL

An insight into the interaction between malachite green oxalate with human serum albumin: Molecular dynamic simulation and spectroscopic approaches

(2020) Masoumeh Kooravand et al.   JOURNAL OF HAZARDOUS MATERIALS

in- vitro relationship between serum protein binding to beta-carboline alkaloids: A comparative cytotoxic, spectroscopic and calorimetric assays

(2019) Tapas Ghosh et al.   JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS

A comparative multivariate analysis of nitrilase enzymes: an ensemble based computational approach

(2019) Priya Kumari et al.   COMPUTATIONAL BIOLOGY AND CHEMISTRY

Biohybrid Electrospun Membrane for the Filtration of Ketoprofen Drug from Water

(2019) Rossella Castagna et al.   ACS Omega

Kinetic and thermodynamic insights into interaction of albumin with piperacillin: Spectroscopic and molecular modeling approaches

(2019) Farzaneh Fathi et al.   JOURNAL OF MOLECULAR LIQUIDS

Multi-spectroscopic, thermodynamic and molecular dockimg insights into interaction of bovine serum albumin with calcium lactate

(2019) Fatemeh Javaheri-Ghezeldizaj et al.   MICROCHEMICAL JOURNAL

Probing the binding of lomefloxacin to a calf thymus DNA-histone H1 complex by multi-spectroscopic and molecular modeling techniques

(2018) Tahmineh Sohrabi et al.   JOURNAL OF MOLECULAR LIQUIDS

A multispectroscopic and molecular docking investigation of the binding interaction between serum albumins and acid orange dye

(2018) Selvaraj Naveenraj et al.   SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY

Multi-spectroscopic approaches and molecular simulation research of the intermolecular interaction between the angiotensin-converting enzyme inhibitor (ACE inhibitor) benazepril and bovine serum albumin (BSA)

(2018) Bao-Li Wang et al.   SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY

Zinc ion-induced conformational changes in new Delphi metallo-β-lactamase 1 probed by molecular dynamics simulations and umbrella sampling

(2017) Jianzhong Chen et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

CaFE: a tool for binding affinity prediction using end-point free energy methods

(2016) Hui Liu et al.   BIOINFORMATICS

Affinity of rosmarinic acid to human serum albumin and its effect on protein conformation stability

(2016) Xin Peng et al.   FOOD CHEMISTRY

Binding of DNA with Rhodamine B: Spectroscopic and molecular modeling studies

(2013) Md. Maidul Islam et al.   DYES AND PIGMENTS

Toxicity of the azo dyes Acid Red 97 and Bismarck Brown Y to Western clawed frog (Silurana tropicalis)

(2013) Jeriel J. Soriano et al.   ENVIRONMENTAL SCIENCE AND POLLUTION RESEARCH

CHARMM36 all-atom additive protein force field: Validation based on comparison to NMR data

(2013) Jing Huang et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Human serum albumin stability and toxicity of anthraquinone dye alizarin complexone: An albumin–dye model

(2012) Fei Ding et al.   ECOTOXICOLOGY AND ENVIRONMENTAL SAFETY

Optical Spectroscopic Exploration of Binding of Cochineal Red A with Two Homologous Serum Albumins

(2012) Priyanka Bolel et al.   JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY

Structural studies on ligand–DNA systems: A robust approach in drug design

(2012) Surat Kumar et al.   JOURNAL OF BIOSCIENCES

Avogadro: an advanced semantic chemical editor, visualization, and analysis platform

(2012) Marcus D Hanwell et al.   Journal of Cheminformatics

Investigating the Antagonistic Action Between Aspirin and Tamoxifen with HSA: Identification of Binding Sites in Binary and Ternary Drug-Protein Systems by Spectroscopic and Molecular Modeling Approaches

(2011) Sanaz Pourgonabadi et al.   PROTEIN AND PEPTIDE LETTERS

Investigation by Fluorescence Spectroscopy, Resonance Rayleigh Scattering and Zeta Potential Approaches of the Separate and Simultaneous Binding Effect of Paclitaxel and Estradiol with Human Serum Albumin

(2011) Narjes Amani et al.   PROTEIN AND PEPTIDE LETTERS

Characterization of Alizarin Red S binding sites and structural changes on human serum albumin: A biophysical study

(2010) Fei Ding et al.   JOURNAL OF HAZARDOUS MATERIALS

AutoDock4 and AutoDockTools4: Automated docking with selective receptor flexibility

(2009) Garrett M. Morris et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

CHARMM: The biomolecular simulation program

(2009) B. R. Brooks et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Interaction of BSA with proflavin: A spectroscopic approach

(2008) Brotati Chakraborty et al.   JOURNAL OF LUMINESCENCE