A lesson for the maestro of the replication fork: Targeting the protein‐binding interface of proliferating cell nuclear antigen for anticancer therapy

Mechanistic behavior and subtle key events during DNA clamp opening and closing in T4 bacteriophage

(2022) Vijay Kumar Bhardwaj et al.   INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES

Identification of selective cyclin-dependent kinase 2 inhibitor from the library of pyrrolone-fused benzosuberene compounds: an in silico exploration

(2021) Rahul Singh et al.   JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS

Taming the ringmaster of the genome (PCNA): Phytomolecules for anticancer therapy against a potential non-oncogenic target

(2021) Vijay Kumar Bhardwaj et al.   JOURNAL OF MOLECULAR LIQUIDS

A new insight into protein-protein interactions and the effect of conformational alterations in PCNA

(2020) Vijay Kumar Bhardwaj et al.   INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES

Improving Protein-Ligand Docking Results with High-Throughput Molecular Dynamics Simulations

(2020) Hugo Guterres et al.   Journal of Chemical Information and Modeling

Himalayan bioactive molecules as potential entry inhibitors for the human immunodeficiency virus

(2020) Vijay Kumar Bhardwaj et al.   FOOD CHEMISTRY

Computational investigation on effect of mutations in PCNA resulting in structural perturbations and inhibition of mismatch repair pathway

(2019) Vijay Bhardwaj et al.   JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS

Tin(II) triflate Catalysed Synthesis of 3-Methyleneisoindolin-1-ones

(2019) Simmi Sharma et al.   ChemistrySelect

Relevance of Molecular Docking Studies in Drug Designing

(2019) Ritu Jakhar et al.   Current Bioinformatics

Steered Molecular Dynamics Simulation in Rational Drug Design

(2018) Phuc-Chau Do et al.   Journal of Chemical Information and Modeling

Bridging Molecular Docking to Molecular Dynamics in Exploring Ligand-Protein Recognition Process: An Overview

(2018) Veronica Salmaso et al.   Frontiers in Pharmacology

Computer Aided Drug Design: Success and Limitations

(2016) Mohammad Hassan Baig et al.   CURRENT PHARMACEUTICAL DESIGN

Thermodynamic measures of cancer: Gibbs free energy and entropy of protein–protein interactions

(2016) Edward A. Rietman et al.   JOURNAL OF BIOLOGICAL PHYSICS

Characterization of proliferating cell nuclear antigen (PCNA) from pathogenic yeast Candida albicans and its functional analyses in S. Cerevisiae

(2015) Kodavati Manohar et al.   BMC MICROBIOLOGY

Targeting DNA damage response in cancer therapy

(2014) Noriko Hosoya et al.   CANCER SCIENCE

g_mmpbsa—A GROMACS Tool for High-Throughput MM-PBSA Calculations

(2014) Rashmi Kumari et al.   Journal of Chemical Information and Modeling

Accounting for Receptor Flexibility and Enhanced Sampling Methods in Computer-Aided Drug Design

(2012) William Sinko et al.   Chemical Biology & Drug Design

Identification of Small Molecule Proliferating Cell Nuclear Antigen (PCNA) Inhibitor That Disrupts Interactions with PIP-box Proteins and Inhibits DNA Replication

(2012) Chandanamali Punchihewa et al.   JOURNAL OF BIOLOGICAL CHEMISTRY

Protein stability, flexibility and function

(2010) Kaare Teilum et al.   BIOCHIMICA ET BIOPHYSICA ACTA-PROTEINS AND PROTEOMICS

Prediction of protein–ligand binding affinity by free energy simulations: assumptions, pitfalls and expectations

(2010) Julien Michel et al.   JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN

PCNA on the crossroad of cancer

(2009) Ivaylo Stoimenov et al.   BIOCHEMICAL SOCIETY TRANSACTIONS

GROMACS 4:  Algorithms for Highly Efficient, Load-Balanced, and Scalable Molecular Simulation

(2008) Berk Hess et al.   Journal of Chemical Theory and Computation