3D Analysis of the Binding Sites for Predicting Binding Affinities in Drug Design

Date

2015-07-25

Author

Ataç, Ali Osman
Erdaş, Özlem
Alpaslan, Ferda Nur
Büyükbingöl, Mehmet Erdem

Metadata

Show full item record

Item Usage Stats

57
views

0
downloads

URI

https://hdl.handle.net/11511/72461

Collections

Unverified, Conference / Seminar

Suggestions

OpenMETU
Core

3D analysis of the binding sites for predicting binding affinities in drug design Ataç, Ali Osman; Alpaslan, Ferda Nur; Büyükbingöl, Erdem; Department of Computer Engineering (2014) Understanding the interaction between drug molecules and proteins is one of the main challenges in drug design. Several tools have been developed recently to decrease the complexity of the process. Artificial intelligence and machine learning methods have promising results in predicting the affinities. Recently, accurate estimations have been performed by extracting the electrostatic potentials from images of the drug-protein binding sites which were generated by autodocking simulator. In this study, a new ...
3D Simulation of Dynamic Interlaminar Failure in Curved Unidirectional CFRP Laminates Ata, Tamer Tahir; Çöker, Demirkan (null; 2020-09-01)
3D Simulation of Dynamic Interlaminar Failure in Curved Unidirectional CFRP Çevik, Ahmet; Çöker, Demirkan (null; 2020-09-01)
3D Simulation of Dynamic Delamination in Curved Composite Laminates Ata, Tamer Tahir; Çöker, Demirkan (Elsevier BV; 2019-01-01) In this study, dynamic fracture of curved carbon fiber reinforced plastic (CFRP) laminates under quasi-static loading is investigated using explicit three dimensional (3D) finite element method in conjunction with Cohesive Zone Modelling (CZM). The simulations are based on the experimental studies conducted by Tasdemir (2018). Three dimensional finite element models of two different ply architectures (unidirectional and fabric laminate) are generated corresponding to the experimental configurations. The com...

Citation Formats

A. O. Ataç, Ö. Erdaş, F. N. Alpaslan, and M. E. Büyükbingöl, “3D Analysis of the Binding Sites for Predicting Binding Affinities in Drug Design,” 2015, Accessed: 00, 2021. [Online]. Available: https://hdl.handle.net/11511/72461.