Results 281 to 290 of about 629,692 (340)
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Improved protein-ligand docking using GOLD
Proteins: Structure, Function and Bioinformatics, 2003Jason C Cole
exaly +2 more sources
Current Medicinal Chemistry, 2020
Background: Design of small molecules which are able to bind to the protein responsible for a disease is the key step of the entire process of the new medicine discovery. Atomistic computer modeling can significantly improve effectiveness of such design.
Vladimir B, Sulimov +2 more
openaire +2 more sources
Background: Design of small molecules which are able to bind to the protein responsible for a disease is the key step of the entire process of the new medicine discovery. Atomistic computer modeling can significantly improve effectiveness of such design.
Vladimir B, Sulimov +2 more
openaire +2 more sources
Comput. Biol. Medicine, 2022
BACKGROUND Huanglian Jiedu Decoction (HLJDD) is a classical herbal formula with potential efficacy in the treatment of sepsis. However, the main components and potential mechanisms of HLJDD remain unclear.
Xing Li +6 more
semanticscholar +1 more source
BACKGROUND Huanglian Jiedu Decoction (HLJDD) is a classical herbal formula with potential efficacy in the treatment of sepsis. However, the main components and potential mechanisms of HLJDD remain unclear.
Xing Li +6 more
semanticscholar +1 more source
DOCKS: Docking System for Microsatellites
31st IAA Symposium on Small Satellite MissionsThe Space Rider Observer Cube (SROC) aims at demonstrating enabling technologies for inspection and docking. SROC will be transported into orbit by the reusable Space Rider (SR) vehicle, will perform inspection manoeuvres on SR, will dock back onto SR and will re-enter Earth's atmosphere inside the SR cargo bay. To perform the docking, SROC is provided
Luca Lion +13 more
openaire +2 more sources
2019
Protein-ligand docking simulation is central in drug design and development. Therefore, the development of web servers intended to docking simulations is of pivotal importance. SwissDock is a web server dedicated to carrying out protein-ligand docking simulation intuitively and elegantly.
Gabriela, Bitencourt-Ferreira +1 more
openaire +2 more sources
Protein-ligand docking simulation is central in drug design and development. Therefore, the development of web servers intended to docking simulations is of pivotal importance. SwissDock is a web server dedicated to carrying out protein-ligand docking simulation intuitively and elegantly.
Gabriela, Bitencourt-Ferreira +1 more
openaire +2 more sources
Journal of Computer-Aided Molecular Design, 2011
The Darwinian model of evolution is an optimization strategy that can be adapted to docking. It differs from the common use of genetic algorithms, primarily in its acceptance of diverse solutions over finding "global" optima. A related problem is selecting compounds using multiple criteria.
openaire +3 more sources
The Darwinian model of evolution is an optimization strategy that can be adapted to docking. It differs from the common use of genetic algorithms, primarily in its acceptance of diverse solutions over finding "global" optima. A related problem is selecting compounds using multiple criteria.
openaire +3 more sources
Use of molecular docking computational tools in drug discovery.
Progress in Medicinal Chemistry, 2021Molecular docking has become an important component of the drug discovery process. Since first being developed in the 1980s, advancements in the power of computer hardware and the increasing number of and ease of access to small molecule and protein ...
F. Stanzione, I. Giangreco, J. Cole
semanticscholar +1 more source
2019
GEMDOCK is a protein-ligand docking software that makes use of an elegant biologically inspired computational methodology based on the differential evolution algorithm. As any docking program, GEMDOCK has two major features to predict the binding of a small-molecule ligand to the binding site of a protein target: the search algorithm and the scoring ...
Gabriela, Bitencourt-Ferreira +1 more
openaire +2 more sources
GEMDOCK is a protein-ligand docking software that makes use of an elegant biologically inspired computational methodology based on the differential evolution algorithm. As any docking program, GEMDOCK has two major features to predict the binding of a small-molecule ligand to the binding site of a protein target: the search algorithm and the scoring ...
Gabriela, Bitencourt-Ferreira +1 more
openaire +2 more sources
Food Chemistry, 2023
During storage and processing, muscle proteins, e.g. myosin and myoglobin, will inevitably undergo degeneration, which is thus accompanied by quality deterioration of muscle foods.
G. Bai +9 more
semanticscholar +1 more source
During storage and processing, muscle proteins, e.g. myosin and myoglobin, will inevitably undergo degeneration, which is thus accompanied by quality deterioration of muscle foods.
G. Bai +9 more
semanticscholar +1 more source
The FEBS Journal, 2010
Docking proteins comprise a distinct category of intracellular, noncatalytic signalling protein, that function downstream of a variety of receptor and receptor‐associated tyrosine kinases and regulate diverse physiological and pathological processes. The growth factor receptor bound 2‐associated binder/Daughter of Sevenless, insulin receptor substrate,
Tilman, Brummer +2 more
openaire +2 more sources
Docking proteins comprise a distinct category of intracellular, noncatalytic signalling protein, that function downstream of a variety of receptor and receptor‐associated tyrosine kinases and regulate diverse physiological and pathological processes. The growth factor receptor bound 2‐associated binder/Daughter of Sevenless, insulin receptor substrate,
Tilman, Brummer +2 more
openaire +2 more sources