Unraveling the molecular effects of mutation L270P on Wiskkot–Aldrich syndrome protein: insights from molecular dynamics approach

Molecular dynamics investigations of BioH protein substrate specificity for biotin synthesis

(2015) Qiao Xue et al.   JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS

Structural conversion of the transformer protein RfaH: new insights derived from protein structure prediction and molecular dynamics simulations

(2015) Nicole Balasco et al.   JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS

Molecular dynamics simulation studies of GSK-3β ATP competitive inhibitors: understanding the factors contributing to selectivity

(2015) Minhajul Arfeen et al.   JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS

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

Use of Long Term Molecular Dynamics Simulation in Predicting Cancer Associated SNPs

(2014) Ambuj Kumar et al.   PLoS Computational Biology

Insilico modeling and molecular dynamic simulation of claudin-1 point mutations in HCV infection

(2013) Bhavaniprasad Vipperla et al.   JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS

Relationship between a point mutation S97C in CK1δ protein and its affect on ATP-binding affinity

(2013) Ambuj Kumar 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

Cancer Associated E17K Mutation Causes Rapid Conformational Drift in AKT1 Pleckstrin Homology (PH) Domain

(2013) Ambuj Kumar et al.   PLoS One

A plausible mechanism for the antimalarial activity of artemisinin: A computational approach

(2013) Ashutosh Shandilya et al.   Scientific Reports

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

Dissecting the Functions of Conserved Prolines within Transmembrane Helices of the D2 Dopamine Receptor

(2011) Ethan B. Van Arnam et al.   ACS Chemical Biology

Physical Mechanisms of Signal Integration by WASP Family Proteins

(2010) Shae B. Padrick et al.   Annual Review of Biochemistry

Activating WASP mutations associated with X-linked neutropenia result in enhanced actin polymerization, altered cytoskeletal responses, and genomic instability in lymphocytes

(2010) Lisa S. Westerberg et al.   JOURNAL OF EXPERIMENTAL MEDICINE

Molecular Dynamics and Principal Components Analysis of Human Telomeric Quadruplex Multimers

(2008) Shozeb Haider et al.   BIOPHYSICAL JOURNAL

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

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

The RosettaDock server for local protein-protein docking

(2008) S. Lyskov et al.   NUCLEIC ACIDS RESEARCH