Structural Model of the Pre-pore Ring-like Structure of Panton-Valentine Leukocidin: Providing Dimensionality to Biophysical and Mutational Data

Hydrolases: The Correlation Between Informational Structure and the Catalytic Sites Organization

(2012) Alexei N. Nekrasov et al.   JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS

DFT Study of B-like Conformations of Deoxydinucleoside Monophosphates Containing Gua and/or Cyt and their Complexes with Na+Cation

(2012) Valery I. Poltev et al.   JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS

Homology Modeling of Wild-type, D516V, and H526LMycobacterium TuberculosisRNA Polymerase and Their Molecular Docking Study with Inhibitors

(2012) Daniela Josa et al.   JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS

Molecular Modeling of the Ternary Complex of Rusticyanin-Cytochrome c4-Cytochrome Oxidase: An Insight to Possible H-Bond Mediated Recognition and Electron Transfer Reaction inT.ferrooxidans

(2012) B. P. Mukhopadhyay et al.   JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS

Conformational Characteristics of Unstructured Peptides: α-Synuclein

(2012) Jeseong Yoon et al.   JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS

Computer-Aided, Rational Design of a Potent and Selective Small Peptide Inhibitor of Cyclooxygenase 2 (COX2)

(2012) V. Rajakrishnan et al.   JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS

Molecular Dynamics, Flexible Docking, Virtual Screening, ADMET Predictions, and Molecular Interaction Field Studies to Design Novel Potential MAO-B Inhibitors

(2012) Glaucia H. Braun et al.   JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS

Intercalation of Daunomycin into Stacked DNA Base Pairs. DFT Study of an Anticancer Drug

(2012) Giampaolo Barone et al.   JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS

RNA2D3D: A program for Generating, Viewing, and Comparing 3-Dimensional Models of RNA

(2012) Hugo M. Martinez et al.   JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS

A Docking Study Using Atomistic Conformers Generated via Elastic Network Model for Cyclosporin A/Cyclophilin A Complex

(2012) E. Demet Akten et al.   JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS