Structural distortions due to missense mutations in human formylglycine-generating enzyme leading to multiple sulfatase deficiency

The ClusPro web server for protein–protein docking

(2017) Dima Kozakov et al.   Nature Protocols

Exploring the cause of aggregation and reduced Zn binding affinity by G85R mutation in SOD1 rendering amyotrophic lateral sclerosis

(2017) E. Srinivasan et al.   PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS

In silico approach to explore the disruption in the molecular mechanism of human hyaluronidase 1 by mutant E268K that directs Natowicz syndrome

(2016) D. Meshach Paul et al.   EUROPEAN BIOPHYSICS JOURNAL WITH BIOPHYSICS LETTERS

Computational simulation analysis on human SOD1 mutant (H80R) exposes the structural destabilization and the deviation of Zn binding that directs familial amyotrophic lateral sclerosis

(2016) E. Srinivasan et al.   JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS

Computational investigation of curcumin, a natural polyphenol that inhibits the destabilization and the aggregation of human SOD1 mutant (Ala4Val)

(2016) E. Srinivasan et al.   RSC Advances

Exploration of Structural and Functional Variations Owing to Point Mutations in α-NAGA

(2016) D. Meshach Paul et al.   Interdisciplinary Sciences-Computational Life Sciences

Protein-peptide molecular docking with large-scale conformational changes: the p53-MDM2 interaction

(2016) Maciej Pawel Ciemny et al.   Scientific Reports

Exploring the structural constraints at cleavage site of mucin 1 isoform through molecular dynamics simulation

(2015) J. Lesitha Jeeva Kumari et al.   EUROPEAN BIOPHYSICS JOURNAL WITH BIOPHYSICS LETTERS

CABS-dock web server for the flexible docking of peptides to proteins without prior knowledge of the binding site

(2015) Mateusz Kurcinski et al.   NUCLEIC ACIDS RESEARCH

Persistent homology analysis of protein structure, flexibility, and folding

(2014) Kelin Xia et al.   International Journal for Numerical Methods in Biomedical Engineering

Structural characterization of disease-causing mutations on SAP and the functional impact on the SLAM peptide: a molecular dynamics approach

(2014) P. Chandrasekaran et al.   Molecular BioSystems

Revealing Origin of Decrease in Potency of Darunavir and Amprenavir against HIV-2 relative to HIV-1 Protease by Molecular Dynamics Simulations

(2014) Jianzhong Chen et al.   Scientific Reports

WS-SNPs&GO: a web server for predicting the deleterious effect of human protein variants using functional annotation

(2013) Emidio Capriotti et al.   BMC GENOMICS

Rapid degradation of an active formylglycine generating enzyme variant leads to a late infantile severe form of multiple sulfatase deficiency

(2013) Lars Schlotawa et al.   EUROPEAN JOURNAL OF HUMAN GENETICS

Structural Basis of a Physical Blockage Mechanism for the Interaction of Response Regulator PmrA with Connector Protein PmrD fromKlebsiella pneumoniae

(2013) Shih-Chi Luo et al.   JOURNAL OF BIOLOGICAL CHEMISTRY

Protein dynamics and motions in relation to their functions: several case studies and the underlying mechanisms

(2013) Li-Quan Yang et al.   JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS

Solution structure and tandem DNA recognition of the C-terminal effector domain of PmrA from Klebsiella pneumoniae

(2013) Yuan-Chao Lou et al.   NUCLEIC ACIDS RESEARCH

How good is automated protein docking?

(2013) Dima Kozakov et al.   PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS

Discrete Molecular Dynamics: An Efficient And Versatile Simulation Method For Fine Protein Characterization

(2012) David Shirvanyants et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Computational screening and molecular dynamics simulation of disease associated nsSNPs in CENP-E

(2012) Ambuj Kumar et al.   MUTATION RESEARCH-FUNDAMENTAL AND MOLECULAR MECHANISMS OF MUTAGENESIS

Molecular design principles underlying β-strand swapping in the adhesive dimerization of cadherins

(2011) Jeremie Vendome et al.   NATURE STRUCTURAL & MOLECULAR BIOLOGY

A New Generation of Crystallographic Validation Tools for the Protein Data Bank

(2011) Randy J. Read et al.   STRUCTURE

POLYVIEW-MM: web-based platform for animation and analysis of molecular simulations

(2010) A. Porollo et al.   NUCLEIC ACIDS RESEARCH

Functional annotations improve the predictive score of human disease-related mutations in proteins

(2009) Remo Calabrese et al.   HUMAN MUTATION

Free-energy landscape, principal component analysis, and structural clustering to identify representative conformations from molecular dynamics simulations: The myoglobin case

(2009) Elena Papaleo et al.   JOURNAL OF MOLECULAR GRAPHICS & MODELLING