E-pharmacophore filtering and molecular dynamics simulation studies in the discovery of potent drug-like molecules for chronic kidney disease

Insight into the interactive residues between two domains of human somatic Angiotensin-converting enzyme and Angiotensin II by MM-PBSA calculation and steered molecular dynamics simulation

(2015) Shan-shan Guan et al.   JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS

3D-QSAR, molecular docking and molecular dynamics studies of a series of RORγt inhibitors

(2014) Fangfang Wang et al.   JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS

The binding modes of cationic porphyrin-anthraquinone hybrids to DNA duplexes:in silicostudy

(2014) Muhammad Arba et al.   JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS

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

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

Combination of Triple Bond and Adamantane Ring on the Vitamin D Side Chain Produced Partial Agonists for Vitamin D Receptor

(2014) Takeru Kudo et al.   JOURNAL OF MEDICINAL CHEMISTRY

Dietary phosphate restriction suppresses phosphaturia but does not prevent FGF23 elevation in a mouse model of chronic kidney disease

(2013) Shiqin Zhang et al.   KIDNEY INTERNATIONAL

Molecular Dynamics Simulation Study Explaining Inhibitor Selectivity in Different Class of Histone Deacetylases

(2012) Sundarapandian Thangapandian et al.   JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS

Molecular Dynamics Investigation on a Series of HIV Protease Inhibitors: Assessing the Performance of MM-PBSA and MM-GBSA Approaches

(2012) Hemant Kumar Srivastava et al.   Journal of Chemical Information and Modeling

CYP24A1 and kidney disease

(2011) Martin Petkovich et al.   CURRENT OPINION IN NEPHROLOGY AND HYPERTENSION

The contribution of chronic kidney disease to the global burden of major noncommunicable diseases

(2011) William G. Couser et al.   KIDNEY INTERNATIONAL

Structural basis of the histidine-mediated vitamin D receptor agonistic and antagonistic mechanisms of (23S)-25-dehydro-1α-hydroxyvitamin D3-26,23-lactone

(2010) Shinji Kakuda et al.   ACTA CRYSTALLOGRAPHICA SECTION D-BIOLOGICAL CRYSTALLOGRAPHY

Global Dynamics of Proteins: Bridging Between Structure and Function

(2010) Ivet Bahar et al.   Annual Review of Biophysics

Ligand and structure based pharmacophore modeling to facilitate novel histone deacetylase 8 inhibitor design

(2010) Sundarapandian Thangapandian et al.   EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY

Vitamin D analogues targeting CYP24 in chronic kidney disease

(2010) Gary H. Posner et al.   JOURNAL OF STEROID BIOCHEMISTRY AND MOLECULAR BIOLOGY

Crystal Structure of CYP24A1, a Mitochondrial Cytochrome P450 Involved in Vitamin D Metabolism

(2009) Andrew J. Annalora et al.   JOURNAL OF MOLECULAR BIOLOGY

Rapid and Accurate Prediction of Binding Free Energies for Saquinavir-Bound HIV-1 Proteases

(2008) Ileana Stoica et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Hyperphosphatemia of chronic kidney disease

(2008) Keith A. Hruska et al.   KIDNEY INTERNATIONAL

Unexpected actions of vitamin D: new perspectives on the regulation of innate and adaptive immunity

(2008) John S Adams et al.   Nature clinical practice. Endocrinology & metabolism