Results 301 to 310 of about 17,712,238 (346)

Computational Design and Optimization of Nerve Guidance Conduits for Improved Mechanical Properties and Permeability.

Journal of Biomechanical Engineering, 2019
Nerve guidance conduits (NGCs) are tubular tissue engineering scaffolds used for nerve regeneration. The poor mechanical properties and porosity have always compromised their performances for guiding and supporting axonal growth.
Shuo Zhang, Vijayavenkataraman Sanjairaj, Geng Chong, Y. Fuh, W. Lu   +4 more
semanticscholar   +1 more source

Patenting computer-designed peptides

Journal of Computer-Aided Molecular Design, 1998
The problem of designing new peptides that possess specific properties, such as bactericidal activity, is of wide interest. Recently, attention has focused on the use of Computer-Aided Molecular Design techniques in parallel with more traditional 'synthesise and test' methods.
S, Patel, I P, Stott, M, Bhakoo, P, Elliott   +3 more
openaire   +2 more sources

Computational Multitarget Drug Design

Journal of Chemical Information and Modeling, 2017
Designing drugs that can simultaneously interact with multiple targets is a promising approach for treating complicated diseases. Compared to using combinations of single target drugs, multitarget drugs have advantages of higher efficacy, improved safety profile, and simpler administration.
Weilin Zhang, Jianfeng Pei, Luhua Lai
openaire   +2 more sources

Computational Design of Robotic Devices From High-Level Motion Specifications

IEEE Transactions on robotics, 2018
We present a novel computational approach to design the robotic devices from high-level motion specifications. Our computational system uses a library of modular components—actuators, mounting brackets, and connectors—to define the space of possible ...
Sehoon Ha, Stelian Coros, A. Alspach, James M. Bern, Joohyung Kim, K. Yamane   +5 more
semanticscholar   +1 more source

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.
openaire   +2 more sources

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
openaire   +2 more sources

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 ...
openaire   +2 more sources

Integrative oncology: Addressing the global challenges of cancer prevention and treatment

Ca-A Cancer Journal for Clinicians, 2022
Jun J Mao,, Msce, Lorenzo Cohen, Karen M Mustian   +2 more
exaly  

Towards the computational design of solid catalysts.

Nature Chemistry, 2009
J. Nørskov, T. Bligaard, J. Rossmeisl, C. Christensen   +3 more
semanticscholar   +1 more source

Computational Design

, 2021
Rongrong Yu, Ning Gu, Michael J. Ostwald
semanticscholar   +1 more source