Results 251 to 260 of about 126,162 (305)
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Simulation of STAT and HP1 interaction by molecular docking
Cellular Signalling, 2023Heterochromatin Protein 1 (HP1) is a major component of heterochromatin. Multiple proteins have been shown to interact with HP1 with the HP1-binding motif PxVxL/I, thereby affecting heterochromatin stability. The HP1-interacting proteins include the signal transducer and activator of transcription (STAT) protein, which can be regulated by ...
Kangxin, Xu, Jinghong, Li, Willis X, Li
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Underwater Docking of AUV with the Dock and Virtual Simulation
Advanced Materials Research, 2010To expand the working field of AUV, a kind of underwater docking technology of AUV with the dock is introduced which has an acoustic short baseline positioning system and visual guiding system. The short baseline system can guide the AUV to implement long range navigation.
Xun Zhang, Xin Qian Bian, Zhe Ping Yan
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Hybrid Apollo docking simulation
Proceedings of the November 14-16, 1967, fall joint computer conference on - AFIPS '67 (Fall), 1967The Apollo manned lunar landing program of the National Aeronautics and Space Administration has as requirements the execution of various rendezvous and docking maneuvers in space by the command and service module (CSM), the lunar module (LM), and the S-IVB space vehicles.
Bruce Johnson, Samuel S. Weiner
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Molecular dynamics simulation of the docking of substrates to proteins
Proteins: Structure, Function, and Bioinformatics, 1994AbstractA simple method is described to perform docking of subtrates to proteins or probes to receptor molecules by a modification of molecular dynamics simulations. The method consists of a separation of the center‐of‐mass motion of the substrate from its internal and rotational motions, and a separate coupling to different thermal baths for both ...
DINOLA, A, ROCCATANO, D, BERENDSEN, HJC
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Simulation Verification of Rendezvous and Docking
2021Space rendezvous and docking involves 12 degrees of freedom motion. Rendezvous and docking control is a complex, large-scale, and multi-parameter technology.
Yongchun Xie +3 more
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The Modeling and Simulation of Rendezvous and Docking
2010 Second International Conference on Computer Modeling and Simulation, 2010The modeling and simulation of rendezvous and docking (R&D) are realized. The line of sight (LOS) dynamic model is built to describe the relative motion of R&D. The above model is used to research the changing of distance, pitch, and azimuth of LOS. The non-control system can't accomplish R&D automatically.
Zhao Xia, Jiang Yu-Xian, Wu Yun-Jie
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Molecular Docking Simulations with ArgusLab
2019Molecular docking is the major computational technique employed in the early stages of computer-aided drug discovery. The availability of free software to carry out docking simulations of protein-ligand systems has allowed for an increasing number of studies using this technique. Among the available free docking programs, we discuss the use of ArgusLab
Gabriela, Bitencourt-Ferreira +1 more
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Numerical Errors and Chaotic Behavior in Docking Simulations
Journal of Chemical Information and Modeling, 2012This work examines the sensitivity of docking programs to tiny changes in ligand input files. The results show that nearly identical ligand input structures can produce dramatically different top-scoring docked poses. Even changing the atom order in a ligand input file can produce significantly different poses and scores.
Miklos Feher, Christopher I. Williams
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Automated docking of substrates to proteins by simulated annealing
Proteins: Structure, Function, and Bioinformatics, 1990AbstractThe Metropolis technique of conformation searching is combined with rapid energy evaluation using molecular affinity potentials to give an efficient procedure for docking substrates to macromolecules of known structure. The procedure works well on a number of crystallographic test systems, functionally reproducing the observed binding modes of ...
D S, Goodsell, A J, Olson
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Web Services for Molecular Docking Simulations
2019Docking process is one of the most significant activities for the analysis of protein-protein or protein-ligand complexes. These tools have become of unique importance when allocated in web services, collaborating scientifically with several areas of knowledge in an interdisciplinary way.
Nelson J F, da Silveira +3 more
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