Effects of representative point mutations on dynamic behavior of the DISC1–Ndel1 complex: a molecular dynamics study

Bioinformatics and Molecular Dynamics Studies on the Human DISC1 in Complex with the Ndel1

Evolutionary adaptation of DHFR via expression of enzyme isoforms with various binding properties and dynamics behavior: a bioinformatics and computational study

A comparative analysis of dipeptides distribution in eukaryotes and prokaryotes by statistical mechanics

Investigation of conformational structures of gemcitabine and its 2′,2′- difluoro 2′-deoxy derivatives: A computational study

Temperature dependent dynamics in highly homologous adenylate kinases

Distribution of dipeptides in different protein structural classes: an effort to find new similarities

A theoretical study on the characteristics of the intermolecular interactions in the active site of human androsterone sulphotransferase: DFT calculations of NQR and NMR parameters and QTAIM analysis

A study of hydrogen bond effects on the oxygen, nitrogen, and hydrogen electric field gradient tensors in the active site of human dehydroepiand

Noncovalent intermolecular interactions between dehydroepiandrosterone and the active site of human dehydroepiandrosterone sulphotransferase: A density functionaltheory based treatment

A graph theory based approach for DNA sequence similarity analysis

A graph theory based approach for DNA sequence similarity analysis

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Preference of dipeptides for adopting helix conformation

PARA2: an R package for Protein Assignment Regarding Secondary Structure

Atomic determinants for inducing β conformation in protein structure

The importance of Van der Waals interaction on retaining the structural integrity of large-sized proteins

How well can DFT-D methods predict protein geometries and energetics?

Calculations of non-covalent interactions in the active site of hydroxysteroid sulfotransferase enzyme using DFT method