Investigation of macromolecular structure and dynamics is fundamental to understanding
how macromolecules carry out their functions in the cell. Significant advances have been …

Computational protein–protein docking is one of the most intensively studied topics in
structural bioinformatics. The field has made substantial progress through over three …

Molecular modeling by means of docking and molecular dynamics (MD) has become an
integral part of early drug discovery projects, enabling the screening and enrichment of large …

Protein–protein interactions are essential for biological function, but structures of protein–
protein complexes are difficult to obtain experimentally. To derive the protein complex of the …

Transcription factors (TF) change shape to search and recognize DNA, shifting the energy
landscape from a weak binding mode to a tight binding mode. But the mechanism of TF …

RNA–LIM is a procedure that can analyze various pseudo-potentials describing the affinity
between single-stranded RNA (ssRNA) ribonucleotides and surface amino acids to produce …

Advances in several biology‐oriented initiatives such as genome sequencing and structural
genomics, along with the progress made through traditional biological and biochemical …

A fragment-based method was developed to investigate the binding conformations of
peptide ligands. This method efficiently avoids the high degree of freedom (DOF) of peptide …

WORLD JOURNAL OF PHARMACEUTICAL RESEARCH Page 1 www.wjpr.net Vol 5, Issue 3,
2016. 1778 M. González-Pérez et al. World Journal of Pharmaceutical Research MOLECULAR …

ABSTRACT Cyclophosphamide (CPA), Melphalan (MPH) Chlorambucil (CHB) and,
Ifosfamide (IPA) are commonly used in Chemotherapy. In this research, it studied the ECTs …