Computational approaches to nucleic acid origami
H Jabbari, M Aminpour… - ACS combinatorial …, 2015 - ACS Publications
Recent advances in experimental DNA origami have dramatically expanded the horizon of
DNA nanotechnology. Complex 3D suprastructures have been designed and developed …
DNA nanotechnology. Complex 3D suprastructures have been designed and developed …
Coupled binding–bending–folding: The complex conformational dynamics of protein-DNA binding studied by atomistic molecular dynamics simulations
A van der Vaart - Biochimica et Biophysica Acta (BBA)-General Subjects, 2015 - Elsevier
Background Protein-DNA binding often involves dramatic conformational changes such as
protein folding and DNA bending. While thermodynamic aspects of this behavior are …
protein folding and DNA bending. While thermodynamic aspects of this behavior are …
Modeling of ribonucleic acid–ligand interactions
F Stefaniak, EI Chudyk, M Bodkin… - Wiley …, 2015 - Wiley Online Library
Computational methods play a pivotal role in the early stages of small molecule drug
discovery and are widely applied in virtual screening, structure optimization, and compound …
discovery and are widely applied in virtual screening, structure optimization, and compound …
Force-field representation of biomolecular systems
MC Small, AD MacKerell Jr - In Silico Drug Discovery and …, 2015 - api.taylorfrancis.com
46 In Silico Drug Discovery and Design and forces of molecules in a simulation. In general,
a potential energy function comprises bonded terms that describe the bond, valence angle …
a potential energy function comprises bonded terms that describe the bond, valence angle …
Molecular Modelling of Macrolide Antibiotic Conformational Sampling and Interactions in the 50S Ribosomal Subunit for the Development of Novel Antibiotics
MC Small - 2015 - search.proquest.com
Overcoming microbial resistance is a major challenge in the development of antibiotics.
Bacteria limit the effectiveness of antibiotics using three major mechanisms: extrusion of the …
Bacteria limit the effectiveness of antibiotics using three major mechanisms: extrusion of the …