Current developments of computer-aided drug design
HJ Huang, HW Yu, CY Chen, CH Hsu, HY Chen… - Journal of the Taiwan …, 2010 - Elsevier
The continuous advancement in molecular biology and information technology aided the
development of a rich molecular simulation repertoire that can be applied in system biology …
development of a rich molecular simulation repertoire that can be applied in system biology …
Update on computer-aided drug design
RC Jackson - Current opinion in biotechnology, 1995 - Elsevier
Recent advances in computational methods for drug design include developments in
quantitative structure—activity relationship approaches as well as novel structure-based …
quantitative structure—activity relationship approaches as well as novel structure-based …
Fundamentals of molecular modeling in drug design
The advent of high-performance computing has increased the role of computer application
as a tool for in silico experiments in all research areas, including drug discovery. This …
as a tool for in silico experiments in all research areas, including drug discovery. This …
Computer-aided drug design platform using PyMOL
MA Lill, ML Danielson - Journal of computer-aided molecular design, 2011 - Springer
The understanding and optimization of protein-ligand interactions are instrumental to
medicinal chemists investigating potential drug candidates. Over the past couple of …
medicinal chemists investigating potential drug candidates. Over the past couple of …
Computational approaches in drug discovery and design
Drug discovery is an expensive and complicated process. The drug must fulfill some criteria
of being nontoxic, bioavailable, and potent. In the view of evermore stringent demands about …
of being nontoxic, bioavailable, and potent. In the view of evermore stringent demands about …
[HTML][HTML] Molecular modeling in drug discovery
With the financial requirements and high time associated with bringing a commercial drug to
the market, the application of computer-aided drug design has been recognized as a …
the market, the application of computer-aided drug design has been recognized as a …
Use of molecular dynamics simulations in structure-based drug discovery
I Bera, PV Payghan - Current pharmaceutical design, 2019 - ingentaconnect.com
Background: Traditional drug discovery is a lengthy process which involves a huge amount
of resources. Modern-day drug discovers various multidisciplinary approaches amongst …
of resources. Modern-day drug discovers various multidisciplinary approaches amongst …
Relevance of molecular docking studies in drug designing
R Jakhar, M Dangi, A Khichi… - Current …, 2020 - ingentaconnect.com
Molecular Docking is used to positioning the computer-generated 3D structure of small
ligands into a receptor structure in a variety of orientations, conformations and positions …
ligands into a receptor structure in a variety of orientations, conformations and positions …
[图书][B] Guidebook on molecular modeling in drug design
NC Cohen - 1996 - books.google.com
Specially designed computer software is revolutionizing procedures for structured or rational
drug design and discovery. The Guidebook on Molecular Modeling in Drug Design serves …
drug design and discovery. The Guidebook on Molecular Modeling in Drug Design serves …
[图书][B] Computer-aided drug design
DB Singh - 2020 - Springer
The computer-aided drug design uses computational approaches for analysis of target,
screening, and interaction of ligands, simulation of target–ligand complex, optimization of …
screening, and interaction of ligands, simulation of target–ligand complex, optimization of …