Search research articles
Contact Us
Filters
Showing results (1-10 of 19) with videos related to
Page
of 2
Sort By:
Journal of Chemical Information and Modeling
|
October 15, 2019
Ring Puckering Landscapes of Glycosaminoglycan-Related Monosaccharides from Molecular Dynamics Simulations
Irfan Alibay, Richard A Bryce
Communications Chemistry
|
January 25, 2023
Evaluating the use of absolute binding free energy in the fragment optimisation process
Irfan Alibay, Aniket Magarkar, Daniel Seeliger, et al.
Biophysical Journal
|
September 11, 2019
Proton Control of Transitions in an Amino Acid Transporter
Zhiyi Wu, Irfan Alibay, Simon Newstead, et al.
Journal of Chemical Information and Modeling
|
October 16, 2024
Analysis of Glycan Recognition by Concanavalin A Using Absolute Binding Free Energy Calculations
Sondos Musleh, Irfan Alibay, Philip C Biggin, et al.
The Journal of Physical Chemistry. B
|
February 9, 2018
Identification of Rare Lewis Oligosaccharide Conformers in Aqueous Solution Using Enhanced Sampling Molecular Dynamics
Irfan Alibay, Kepa K Burusco, Neil J Bruce, et al.
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
September 30, 2015
Free Energy Calculations using a Swarm-Enhanced Sampling Molecular Dynamics Approach
Kepa K Burusco, Neil J Bruce, Irfan Alibay, et al.
Scientific Reports
|
March 24, 2022
Atomistic mechanisms of human TRPA1 activation by electrophile irritants through molecular dynamics simulation and mutual information analysis
Matthew Habgood, David Seiferth, Afroditi-Maria Zaki, et al.
Journal of Chemical Information and Modeling
|
July 2, 2024
Automated Absolute Binding Free Energy Calculation Workflow for Drug Discovery
Benjamin Ries, Irfan Alibay, Nithishwer Mouroug Anand, et al.
Journal of Computational Chemistry
|
May 15, 2025
Evaluating the Functional Importance of Conformer-Dependent Atomic Partial Charge Assignment
Meghan Osato, Hannah M Baumann, Jennifer Huang, et al.
Journal of Chemical Information and Modeling
|
December 25, 2018
Energetic Fingerprinting of Ligand Binding to Paralogous Proteins: The Case of the Apoptotic Pathway
Stefan M Ivanov, Roland G Huber, Irfan Alibay, et al.
Page
of 2
Search research articles
Search
Showing results (1-10 of 19) with videos related to
Sort By:
Page
of 2
Journal of Chemical Information and Modeling
|
October 15, 2019
Ring Puckering Landscapes of Glycosaminoglycan-Related Monosaccharides from Molecular Dynamics Simulations
Irfan Alibay, Richard A Bryce
Communications Chemistry
|
January 25, 2023
Evaluating the use of absolute binding free energy in the fragment optimisation process
Irfan Alibay, Aniket Magarkar, Daniel Seeliger, et al.
Biophysical Journal
|
September 11, 2019
Proton Control of Transitions in an Amino Acid Transporter
Zhiyi Wu, Irfan Alibay, Simon Newstead, et al.
Journal of Chemical Information and Modeling
|
October 16, 2024
Analysis of Glycan Recognition by Concanavalin A Using Absolute Binding Free Energy Calculations
Sondos Musleh, Irfan Alibay, Philip C Biggin, et al.
The Journal of Physical Chemistry. B
|
February 9, 2018
Identification of Rare Lewis Oligosaccharide Conformers in Aqueous Solution Using Enhanced Sampling Molecular Dynamics
Irfan Alibay, Kepa K Burusco, Neil J Bruce, et al.
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
September 30, 2015
Free Energy Calculations using a Swarm-Enhanced Sampling Molecular Dynamics Approach
Kepa K Burusco, Neil J Bruce, Irfan Alibay, et al.
Scientific Reports
|
March 24, 2022
Atomistic mechanisms of human TRPA1 activation by electrophile irritants through molecular dynamics simulation and mutual information analysis
Matthew Habgood, David Seiferth, Afroditi-Maria Zaki, et al.
Journal of Chemical Information and Modeling
|
July 2, 2024
Automated Absolute Binding Free Energy Calculation Workflow for Drug Discovery
Benjamin Ries, Irfan Alibay, Nithishwer Mouroug Anand, et al.
Journal of Computational Chemistry
|
May 15, 2025
Evaluating the Functional Importance of Conformer-Dependent Atomic Partial Charge Assignment
Meghan Osato, Hannah M Baumann, Jennifer Huang, et al.
Journal of Chemical Information and Modeling
|
December 25, 2018
Energetic Fingerprinting of Ligand Binding to Paralogous Proteins: The Case of the Apoptotic Pathway
Stefan M Ivanov, Roland G Huber, Irfan Alibay, et al.
Page
of 2