Binding mechanism of spinosine and venenatine molecules with p300 HAT enzyme: Molecular screening, molecular dynamics and free‐energy analysis

Pathological role of a point mutation (T315I) in BCR-ABL1 protein-A computational insight

(2017) Vidya Rajendran et al.   JOURNAL OF CELLULAR BIOCHEMISTRY

Mutational Analysis on Membrane Associated Transporter Protein (MATP) and Their Structural Consequences in Oculocutaeous Albinism Type 4 (OCA4)-A Molecular Dynamics Approach

(2016) Balu Kamaraj et al.   JOURNAL OF CELLULAR BIOCHEMISTRY

Structural analysis of oncogenic mutation of isocitrate dehydrogenase 1

(2016) Vidya Rajendran   Molecular BioSystems

Impact of point mutation P29S in RAC1 on tumorigenesis

(2016) Vidya Rajendran et al.   TUMOR BIOLOGY

Identification of new p300 histone acetyltransferase inhibitors from natural products by a customized virtual screening method

(2016) Guo-Bo Li et al.   RSC Advances

Protein Lysine Acetylation by p300/CBP

(2015) Beverley M. Dancy et al.   CHEMICAL REVIEWS

The H1 linker histones: multifunctional proteins beyond the nucleosomal core particle

(2015) S. P. Hergeth et al.   EMBO REPORTS

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

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

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

Structure of the p300 Histone Acetyltransferase Bound to Acetyl-Coenzyme A and Its Analogues

(2014) Jasna Maksimoska et al.   BIOCHEMISTRY

Synthesis of a novel series of thiazole-based histone acetyltransferase inhibitors

(2014) Daniela Secci et al.   BIOORGANIC & MEDICINAL CHEMISTRY

Nucleosome Structure and Function

(2014) Robert K. McGinty et al.   CHEMICAL REVIEWS

Quinoline-Based p300 Histone Acetyltransferase Inhibitors with Pro-apoptotic Activity in Human Leukemia U937 Cells

(2014) Alessia Lenoci et al.   ChemMedChem

Catalytic Mechanism of Histone Acetyltransferase p300: From the Proton Transfer to Acetylation Reaction

(2014) Xinlei Zhang et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Dysregulation of Histone Acetyltransferases and Deacetylases in Cardiovascular Diseases

(2014) Yonggang Wang et al.   Oxidative Medicine and Cellular Longevity

C646, a selective small molecule inhibitor of histone acetyltransferase p300, radiosensitizes lung cancer cells by enhancing mitotic catastrophe

(2014) Takahiro Oike et al.   RADIOTHERAPY AND ONCOLOGY

Lysine Acetyltransferases CBP and p300 as Therapeutic Targets in Cognitive and Neurodegenerative Disorders

(2013) Luis Valor et al.   CURRENT PHARMACEUTICAL DESIGN

Drug resistance mechanism of PncA inMycobacterium tuberculosis

(2013) Vidya Rajendran et al.   JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS

Role of ELA region in auto-activation of mutant KIT receptor: a molecular dynamics simulation insight

(2013) Rituraj Purohit   JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS

PTRAJ and CPPTRAJ: Software for Processing and Analysis of Molecular Dynamics Trajectory Data

(2013) Daniel R. Roe et al.   Journal of Chemical Theory and Computation

Live-Cell Studies of p300/CBP Histone Acetyltransferase Activity and Inhibition

(2012) Beverley M. Dancy et al.   CHEMBIOCHEM

Acetylation of Retinal Histones in Diabetes Increases Inflammatory Proteins

(2012) Chandra Sekhar Rao Kadiyala et al.   JOURNAL OF BIOLOGICAL CHEMISTRY

The Normal-Mode Entropy in the MM/GBSA Method: Effect of System Truncation, Buffer Region, and Dielectric Constant

(2012) Samuel Genheden et al.   Journal of Chemical Information and Modeling

Adaptive stochastic methods for sampling driven molecular systems

(2011) Andrew Jones et al.   JOURNAL OF CHEMICAL PHYSICS

Probing the effect of intermolecular interaction and understanding the electrostatic moments of anacardic acid in the active site of p300 enzyme via DFT and charge density analysis

(2011) B. Devipriya et al.   JOURNAL OF MOLECULAR GRAPHICS & MODELLING

Assessing the Performance of the MM/PBSA and MM/GBSA Methods. 1. The Accuracy of Binding Free Energy Calculations Based on Molecular Dynamics Simulations

(2010) Tingjun Hou et al.   Journal of Chemical Information and Modeling

Chemical biology of Histone acetyltransferase natural compounds modulators

(2010) Fabrizio Dal Piaz et al.   MOLECULAR DIVERSITY

Histone acetyl transferases as emerging drug targets

(2009) Frank J. Dekker et al.   DRUG DISCOVERY TODAY

Inhibition of Lysine Acetyltransferase KAT3B/p300 Activity by a Naturally Occurring Hydroxynaphthoquinone, Plumbagin

(2009) Kodihalli C. Ravindra et al.   JOURNAL OF BIOLOGICAL CHEMISTRY

AutoDock4 and AutoDockTools4: Automated docking with selective receptor flexibility

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

The structural basis of protein acetylation by the p300/CBP transcriptional coactivator

(2008) Xin Liu et al.   NATURE