In Silico Drug Discovery and Design (Theory, Methods, Challenges, and Applications) || How Protein Flexibility Can Influence Docking/Scoring Simulations
- 作者Cavasotto, Claudio
- 文件大小1327.54KB
- 发表时间2015
- DOI10.1201/b18799-20
- 页码411-440
High-Throughput Docking Using Quantum Mechanical ScoringCavasotto, Claudio N.; Aucar, M. Gabriela · Frontiers in Chemistry · 2020
Homology Models in Docking and High-Throughput DockingN. Cavasotto, Claudio · Current Topics in Medicinal Chemistry · 2011
Homology modeling in drug discovery: current trends and applicationsClaudio N. Cavasotto; Sharangdhar S. Phatak · 2009
Molecular Modeling of Glucose Diffusivity in Silica NanochannelsZiemys, Arturas; Ferrari, Mauro; Cavasotto, Claudio N. · Journal of Nanoscience and Nanotechnology · 2009
Computational chemistry in drug lead discovery and designCavasotto, Claudio N.; Aucar, María Gabriela; Adler, Natalia S. · International Journal of Quantum Chemistry · 2018
Finite expansion of the inverse matrix in the polarization propagator methodClaudio N. Cavasotto · 2000
Structure-based development of target-specific compound librariesAndrew J.W. Orry; Ruben A. Abagyan; Claudio N. Cavasotto · 2006
Protein Flexibility in Ligand Docking and Virtual Screening to Protein KinasesClaudio N. Cavasotto; Ruben A. Abagyan · 2004