Cantharidin inhibits competitively heme-Fe(III) binding to the FA1 site of human serum albumin

DockingApp: a user friendly interface for facilitated docking simulations with AutoDock Vina

(2017) Elena Di Muzio et al.   JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN

All- trans -retinoic acid and retinol binding to the FA1 site of human serum albumin competitively inhibits heme-Fe(III) association

(2016) Elena Di Muzio et al.   ARCHIVES OF BIOCHEMISTRY AND BIOPHYSICS

The MM/PBSA and MM/GBSA methods to estimate ligand-binding affinities

(2015) Samuel Genheden et al.   Expert Opinion on Drug Discovery

Multilevel Summation Method for Electrostatic Force Evaluation

(2015) David J. Hardy et al.   Journal of Chemical Theory and Computation

ff14SB: Improving the Accuracy of Protein Side Chain and Backbone Parameters from ff99SB

(2015) James A. Maier et al.   Journal of Chemical Theory and Computation

Molecular docking and dynamic simulation evaluation of Rohinitib — Cantharidin based novel HSF1 inhibitors for cancer therapy

(2015) Tarun Agarwal et al.   JOURNAL OF MOLECULAR GRAPHICS & MODELLING

Imatinib binding to human serum albumin modulates heme association and reactivity

(2014) Elena Di Muzio et al.   ARCHIVES OF BIOCHEMISTRY AND BIOPHYSICS

Formulation and characterization of albumin microspheres containing norcantharidate for liver tumor targeting

(2014) Fang Yan et al.   DRUG DELIVERY

pmx: Automated protein structure and topology generation for alchemical perturbations

(2014) Vytautas Gapsys et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Pharmacogenomics of cantharidin in tumor cells

(2013) Onat Kadioglu et al.   BIOCHEMICAL PHARMACOLOGY

α-Tocopherol binding to human serum albumin

(2013) Gabriella Fanali et al.   BIOFACTORS

GROMACS 4.5: a high-throughput and highly parallel open source molecular simulation toolkit

(2013) Sander Pronk et al.   BIOINFORMATICS

Cantharidin-Based Small Molecules as Potential Therapeutic Agents

(2013) Carlos E. Puerto Galvis et al.   Chemical Biology & Drug Design

Norcantharidin, Derivative of Cantharidin, for Cancer Stem Cells

(2013) Chen-Hsi Hsieh et al.   Evidence-based Complementary and Alternative Medicine

Determination of Trace Cantharidin in Plasma and Pharmacokinetic Study in Beagle Dogs Using Gas Chromatography-Mass Spectrometry

(2013) Y.-J. Dang et al.   JOURNAL OF ANALYTICAL TOXICOLOGY

Exploiting Protein Phosphatase Inhibitors Based on Cantharidin Analogues for Cancer Drug Discovery

(2013) Liping Deng et al.   MINI-REVIEWS IN MEDICINAL CHEMISTRY

Sequence analysis of serum albumins reveals the molecular evolution of ligand recognition properties

(2012) Gabriella Fanali et al.   JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS

An overview of the Amber biomolecular simulation package

(2012) Romelia Salomon-Ferrer et al.   Wiley Interdisciplinary Reviews-Computational Molecular Science

Human serum albumin: From bench to bedside

(2011) Gabriella Fanali et al.   MOLECULAR ASPECTS OF MEDICINE

Phosphatases: providing safe passage through mitotic exit

(2011) Claudia Wurzenberger et al.   NATURE REVIEWS MOLECULAR CELL BIOLOGY

R.E.D. Server: a web service for deriving RESP and ESP charges and building force field libraries for new molecules and molecular fragments

(2011) Enguerran Vanquelef et al.   NUCLEIC ACIDS RESEARCH

Large-scale production of functional human serum albumin from transgenic rice seeds

(2011) Y. He et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Structural basis of binding of fluorescent, site-specific dansylated amino acids to human serum albumin

(2010) Ali J. Ryan et al.   JOURNAL OF STRUCTURAL BIOLOGY

Structural Basis of Serine/Threonine Phosphatase Inhibition by the Archetypal Small Molecules Cantharidin and Norcantharidin

(2009) I. Bertini et al.   JOURNAL OF MEDICINAL CHEMISTRY

Poly(lactide-co-glycolide) nanoparticles as carriers for norcantharidin

(2009) Qingbing Zeng et al.   Materials Science & Engineering C-Materials for Biological Applications

Structural determinants of trypsin affinity and specificity for cationic inhibitors

(2009) Fabio Polticelli et al.   PROTEIN SCIENCE