Results 161 to 170 of about 2,147,957 (198)

Computer-Aided Molecular Design

Science, 1987
Theoretical chemistry, as implemented on fast computers, is beginning to yield accurate predictions of the thermodynamic and kinetic properties of large molecular assemblies. In addition to providing detailed insights into the origins of molecular activity, theoretical calculations can be used to design new molecules with specific properties.
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Computational Design of Metalloproteins

2014
A number of design strategies exist for the development of novel metalloproteins. These strategies often exploit the inherent symmetry of metal coordination and local topology. Computational design of metal binding sites in flexible regions of proteins is challenging as the number of conformational degrees of freedom is significantly increased ...
Avanish S, Parmar, Douglas, Pike, Vikas, Nanda   +2 more
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Computer-assisted drug design

Journal of Medicinal Chemistry, 1985
Evolution dans le domaine de la conception assistee par ordinateur de medicaments au cours des quatre dernieres ...
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Computational design of magnetic molecules and their environment using quantum chemistry, machine learning and multiscale simulations

Nature Reviews Chemistry, 2022
Alessandro Lunghi, Stefano Sanvito
exaly  

Computational design of transmembrane pores

Nature, 2020
Chunfu Xu, Peilong Lu, Tamer M Gamal El-Din   +2 more
exaly  

Advances in protein structure prediction and design

Nature Reviews Molecular Cell Biology, 2019
Brian Kuhlman, Philip Bradley
exaly  

Computer-designed computer announced

Electrical Engineering, 1961
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Computational tools for the synthetic design of biochemical pathways

Nature Reviews Microbiology, 2012
Marnix H Medema, Renske van Raaphorst, Eriko Takano   +2 more
exaly  

Computer designs computer switch

Computer-Aided Design, 1972
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Computational design of ligand-binding proteins with high affinity and selectivity

Nature, 2013
Sagar D Khare, Lindsey A Doyle, Jorgen W Nelson   +2 more
exaly