HD5 and HBD1 variants’ solvation potential energy correlates with their antibacterial activity against Escherichia coli

Visualizing Attack of Escherichia coli by the Antimicrobial Peptide Human Defensin 5

(2015) Haritha R. Chileveru et al.   BIOCHEMISTRY

Antimicrobial activity of human α-defensin 5 and its linear analogs: N-terminal fatty acylation results in enhanced antimicrobial activity of the linear analogs

(2015) Basil Mathew et al.   PEPTIDES

Computational analyses and prediction of guanylin deleterious SNPs

(2015) William F. Porto et al.   PEPTIDES

In silico identification, structural characterization, and phylogenetic analysis of MdesDEF-2: a novel defensin from the Hessian fly, Mayetiola destructor

(2014) William F. Porto et al.   JOURNAL OF MOLECULAR MODELING

Computational Analysis of Functional Single Nucleotide Polymorphisms Associated with the CYP11B2 Gene

(2014) Minyue Jia et al.   PLoS One

Computational Screening and Molecular Dynamic Simulation of Breast Cancer Associated Deleterious Non-Synonymous Single Nucleotide Polymorphisms in TP53 Gene

(2014) Kumaraswamy Naidu Chitrala et al.   PLoS One

Investigating the Impact of Asp181 Point Mutations on Interactions between PTP1B and Phosphotyrosine Substrate

(2014) Mengyuan Liu et al.   Scientific Reports

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

(2014) Ambuj Kumar et al.   PLoS Computational Biology

Computational Investigation of Cancer-Associated Molecular Mechanism in Aurora A (S155R) Mutation

(2013) Ambuj Kumar et al.   CELL BIOCHEMISTRY AND BIOPHYSICS

Computational Screening of Disease-Associated Mutations in OCA2 Gene

(2013) Balu Kamaraj et al.   CELL BIOCHEMISTRY AND BIOPHYSICS

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

(2013) Rituraj Purohit   JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS

RefSeq: an update on mammalian reference sequences

(2013) Kim D. Pruitt et al.   NUCLEIC ACIDS RESEARCH

Molecular Dynamic Simulation Reveals Damaging Impact of RAC1 F28L Mutation in the Switch I Region

(2013) Ambuj Kumar et al.   PLoS One

Prediction of Functional Loss of Human Angiogenin Mutants Associated with ALS by Molecular Dynamics Simulations

(2013) Aditya K. Padhi et al.   Scientific Reports

Discriminative modelling of context-specific amino acid substitution probabilities

(2012) Christof Angermüller et al.   BIOINFORMATICS

Functional Determinants of Human Enteric α-Defensin HD5

(2012) Mohsen Rajabi et al.   JOURNAL OF BIOLOGICAL CHEMISTRY

CS-AMPPred: An Updated SVM Model for Antimicrobial Activity Prediction in Cysteine-Stabilized Peptides

(2012) William F. Porto et al.   PLoS One

In silico investigation of molecular mechanism of laminopathy caused by a point mutation (R482W) in lamin A/C protein

(2011) Vidya Rajendran et al.   AMINO ACIDS

Reduction of disulphide bonds unmasks potent antimicrobial activity of human β-defensin 1

(2011) Bjoern O. Schroeder et al.   NATURE

Prediction of Antibacterial Activity from Physicochemical Properties of Antimicrobial Peptides

(2011) Manuel N. Melo et al.   PLoS One

ConSurf 2010: calculating evolutionary conservation in sequence and structure of proteins and nucleic acids

(2010) H. Ashkenazy et al.   NUCLEIC ACIDS RESEARCH

CAMP: a useful resource for research on antimicrobial peptides

(2009) Shaini Thomas et al.   NUCLEIC ACIDS RESEARCH

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

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