Rational Computational Assessment of Quercetin Derivatives as GSTP1 Inhibitor to Reverse Chemoresistance

Glutathione-Mediated Conjugation of Anticancer Drugs: An Overview of Reaction Mechanisms and Biological Significance for Drug Detoxification and Bioactivation

(2022) Agnieszka Potęga   MOLECULES

A pan-cancer transcriptome analysis of exitron splicing identifies novel cancer driver genes and neoepitopes

(2021) Ting-You Wang et al.   MOLECULAR CELL

Glutathione S-Transferases in Cancer

(2021) Rahul Raj Singh et al.   Antioxidants

Quercetin Impact in Pancreatic Cancer: An Overview on Its Therapeutic Effects

(2021) Parina Asgharian et al.   Oxidative Medicine and Cellular Longevity

Geo-Measures: A PyMOL plugin for protein structure ensembles analysis

(2020) Luciano Porto Kagami et al.   COMPUTATIONAL BIOLOGY AND CHEMISTRY

Molecular Dynamics Simulations of Wild Type and Mutants of SAPAP in Complexed with Shank3

(2019) Lianhua Piao et al.   INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES

Modulation of Multiple Signaling Pathways of the Plant-Derived Natural Products in Cancer

(2019) Li-rui Sun et al.   Frontiers in Oncology

ProTox-II: a webserver for the prediction of toxicity of chemicals

(2018) Priyanka Banerjee et al.   NUCLEIC ACIDS RESEARCH

UALCAN: A Portal for Facilitating Tumor Subgroup Gene Expression and Survival Analyses

(2017) Darshan S. Chandrashekar et al.   NEOPLASIA

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

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

pkCSM: Predicting Small-Molecule Pharmacokinetic and Toxicity Properties Using Graph-Based Signatures

(2015) Douglas E. V. Pires et al.   JOURNAL OF MEDICINAL CHEMISTRY

The Cancer Genome Atlas Pan-Cancer analysis project

(2013) John N Weinstein et al.   NATURE GENETICS

Prediction of Absolute Solvation Free Energies using Molecular Dynamics Free Energy Perturbation and the OPLS Force Field

(2010) Devleena Shivakumar et al.   Journal of Chemical Theory and Computation

Gabedit-A graphical user interface for computational chemistry softwares

(2010) Abdul-Rahman Allouche   JOURNAL OF COMPUTATIONAL CHEMISTRY

Atomic-Level Characterization of the Structural Dynamics of Proteins

(2010) D. E. Shaw et al.   SCIENCE

AutoDock Vina: Improving the speed and accuracy of docking with a new scoring function, efficient optimization, and multithreading

(2009) Oleg Trott et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY