Insights into the selective inhibition of an Alzheimer’s disease drug candidate p5 on CDK5-p25 complex in the presence of Munc18-1 using umbrella sampling molecular simulations
Tammareddy, Tejaswi, Cardone, Antonio, Pant, Harish C., Keyrouz, Walid, Sriram, Ram, Klauda, Jeffery B.
Published in Biophysical journal (08.02.2024)
Published in Biophysical journal (08.02.2024)
Get full text
Journal Article
Predicting Kováts Retention Indices Using Graph Neural Networks
Qu, Chen, Schneider, Barry I., Kearsley, Anthony J., Keyrouz, Walid, Allison, Thomas C.
Published in Journal of Chromatography A (07.06.2021)
Published in Journal of Chromatography A (07.06.2021)
Get full text
Journal Article
Investigation of the potential off-target effects on Munc 18 (p67) involved in synaptic vesical transport due to the interaction with peptide p5
Tammareddy, Tejaswi, Cardone, Antonio, Pant, Harish C., Keyrouz, Walid, Sriram, Ram, Klauda, Jeffery B.
Published in Biophysical journal (10.02.2023)
Published in Biophysical journal (10.02.2023)
Get full text
Journal Article
Investigation of the Effect of Peptide p5 Targeting CDK5-p25 Hyperactivity on Munc18–1 (P67) Regulating Neuronal Exocytosis Using Molecular Simulations
Tammareddy, Tejaswi, Keyrouz, Walid, Sriram, Ram D., Pant, Harish C., Cardone, Antonio, Klauda, Jeffery B.
Published in Biochemistry (Easton) (16.07.2024)
Published in Biochemistry (Easton) (16.07.2024)
Get full text
Journal Article
An Illustration of Extending Hedgehog to Multi-Node GPU Architectures Using GEMM
Shingde, Nitish, Blattner, Timothy, Bardakoff, Alexandre, Keyrouz, Walid, Berzins, Martin
Published in SN computer science (15.06.2024)
Published in SN computer science (15.06.2024)
Get full text
Journal Article
In silico study on the selective inhibition of Alzheimer’s disease (AD) pathological complex cdk5-p25 by peptide p5 in presence of munc 18 (p67)
Tammareddy, Tejaswi, Cardone, Antonio, Hassan, Sergio A., Pant, Harish C., Brady, Mary, Keyrouz, Walid, Sriram, Ram, Klauda, Jeffery B.
Published in Biophysical journal (11.02.2022)
Published in Biophysical journal (11.02.2022)
Get full text
Journal Article
Computational Study of the Allosteric Effects of p5 on CDK5–p25 Hyperactivity as Alternative Inhibitory Mechanisms in Neurodegeneration
Tammareddy, Tejaswi, Keyrouz, Walid, Sriram, Ram D., Pant, Harish C., Cardone, Antonio, Klauda, Jeffery B.
Published in The journal of physical chemistry. B (14.07.2022)
Published in The journal of physical chemistry. B (14.07.2022)
Get full text
Journal Article
Investigation of Allosteric Inhibition Mechanisms by the Peptide P5 on the Alzheimer's Disease (AD) Pathological Complex Cdk5-p25 through Molecular Dynamics Simulations
Tammareddy, Tejaswi, Cardone, Antonio, Hassan, Sergio, Pant, Harish C., Brady, Mary, Keyrouz, Walid, Sriram, Ram, Klauda, Jeffery B.
Published in Biophysical journal (12.02.2021)
Published in Biophysical journal (12.02.2021)
Get full text
Journal Article
ZENO: Software for calculating hydrodynamic, electrical, and shape properties of polymer and particle suspensions
Juba, Derek, Audus, Debra J., Mascagni, Michael, Douglas, Jack F., Keyrouz, Walid
Published in Journal of research of the National Institute of Standards and Technology (09.03.2017)
Published in Journal of research of the National Institute of Standards and Technology (09.03.2017)
Get full text
Journal Article
Geometry entrapment in Walk-on-Subdomains
Hamlin, Preston, Thrasher, W. John, Keyrouz, Walid, Mascagni, Michael
Published in Monte Carlo methods and applications (01.12.2019)
Published in Monte Carlo methods and applications (01.12.2019)
Get full text
Journal Article
CGMBE: a model-based tool for the design and implementation of real-time image processing applications on CPU–GPU platforms
Wu, Jiahao, Xie, Jing, Bardakoff, Alexandre, Blattner, Timothy, Keyrouz, Walid, Bhattacharyya, Shuvra S.
Published in Journal of real-time image processing (01.06.2021)
Published in Journal of real-time image processing (01.06.2021)
Get full text
Journal Article
Model-Based Dynamic Scheduling for Multicore Signal Processing
Wu, Jiahao, Blattner, Timothy, Keyrouz, Walid, Bhattacharyya, Shuvra S.
Published in Journal of signal processing systems (15.09.2019)
Published in Journal of signal processing systems (15.09.2019)
Get full text
Journal Article
A Hybrid Task Graph Scheduler for High Performance Image Processing Workflows
Blattner, Timothy, Keyrouz, Walid, Bhattacharyya, Shuvra S., Halem, Milton, Brady, Mary
Published in Journal of signal processing systems (01.12.2017)
Published in Journal of signal processing systems (01.12.2017)
Get full text
Journal Article
Acceleration and Parallelization of ZENO/Walk-on-Spheres
Juba, Derek, Keyrouz, Walid, Mascagni, Michael, Brady, Mary
Published in Procedia computer science (2016)
Published in Procedia computer science (2016)
Get full text
Journal Article
A design tool for high performance image processing on multicore platforms
Wu, Jiahao, Blattner, Timothy, Keyrouz, Walid, Bhattacharyya, Shuvra S.
Published in 2018 Design, Automation & Test in Europe Conference & Exhibition (DATE) (01.03.2018)
Published in 2018 Design, Automation & Test in Europe Conference & Exhibition (DATE) (01.03.2018)
Get full text
Conference Proceeding
ZENO: Software for calculating hydrodynamic, electrical, and shape properties of polymer and particle suspensions
Juba, Derek, Audus, Debra J, Mascagni, Michael, Douglas, Jack F, Keyrouz, Walid
Published in Journal of research of the National Institute of Standards and Technology (01.01.2017)
Published in Journal of research of the National Institute of Standards and Technology (01.01.2017)
Get full text
Journal Article