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The Journal of Physical Chemistry. B
|
March 11, 2006
Molecular dynamics simulation of monoalkyl glycoside micelles in aqueous solution: influence of carbohydrate headgroup stereochemistry
Teoh T Chong, Rauzah Hashim, Richard A Bryce
Journal of Chemical Information and Modeling
|
February 5, 2026
Prediction of Charged Small Molecule Conformations in Solution Using a Balanced ML/MM Potential
Christopher D Williams, Neil A Burton, Richard A Bryce
European Journal of Medicinal Chemistry
|
February 18, 2011
Structure-activity relationship of 2,4,5-trioxoimidazolidines as inhibitors of thymidine phosphorylase
Mehdi Rajabi, David Mansell, Sally Freeman, 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.
Journal of Computational Chemistry
|
April 14, 2007
Correlated ab initio quantum chemical calculations of di- and trisaccharide conformations
Ian R Gould, Hoda Abdel-Aal Bettley, Richard A Bryce
Chemical Biology & Drug Design
|
August 12, 2015
Analysis of Enoyl-Acyl Carrier Protein Reductase Structure and Interactions Yields an Efficient Virtual Screening Approach and Suggests a Potential Allosteric Site
Mohammad A Ghattas, Ramez A Mansour, Noor Atatreh, et al.
Journal of Chemical Information and Modeling
|
October 15, 2025
FibrilGen: A Python Package for Atomistic Modeling of Peptide β-Sheet Nanostructures
Chao-Yu Yang, Aline F Miller, Alberto Saiani, et al.
ACS Chemical Neuroscience
|
July 13, 2019
Tracing the GSAP-APP C-99 Interaction Site in the β-Amyloid Pathway Leading to Alzheimer's Disease
Deekshi Angira, Rupesh Chikhale, Kapilkumar Mehta, et al.
Chemical Science
|
August 16, 2024
Stable and accurate atomistic simulations of flexible molecules using conformationally generalisable machine learned potentials
Christopher D Williams, Jas Kalayan, Neil A Burton, et al.
Journal of Molecular Graphics & Modelling
|
July 20, 2014
Protein tyrosine phosphatases: Ligand interaction analysis and optimisation of virtual screening
Mohammad A Ghattas, Noor Atatreh, Elena V Bichenkova, et al.
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of 9
Search research articles
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Showing results (21-30 of 85) with videos related to
Sort By:
Page
of 9
The Journal of Physical Chemistry. B
|
March 11, 2006
Molecular dynamics simulation of monoalkyl glycoside micelles in aqueous solution: influence of carbohydrate headgroup stereochemistry
Teoh T Chong, Rauzah Hashim, Richard A Bryce
Journal of Chemical Information and Modeling
|
February 5, 2026
Prediction of Charged Small Molecule Conformations in Solution Using a Balanced ML/MM Potential
Christopher D Williams, Neil A Burton, Richard A Bryce
European Journal of Medicinal Chemistry
|
February 18, 2011
Structure-activity relationship of 2,4,5-trioxoimidazolidines as inhibitors of thymidine phosphorylase
Mehdi Rajabi, David Mansell, Sally Freeman, 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.
Journal of Computational Chemistry
|
April 14, 2007
Correlated ab initio quantum chemical calculations of di- and trisaccharide conformations
Ian R Gould, Hoda Abdel-Aal Bettley, Richard A Bryce
Chemical Biology & Drug Design
|
August 12, 2015
Analysis of Enoyl-Acyl Carrier Protein Reductase Structure and Interactions Yields an Efficient Virtual Screening Approach and Suggests a Potential Allosteric Site
Mohammad A Ghattas, Ramez A Mansour, Noor Atatreh, et al.
Journal of Chemical Information and Modeling
|
October 15, 2025
FibrilGen: A Python Package for Atomistic Modeling of Peptide β-Sheet Nanostructures
Chao-Yu Yang, Aline F Miller, Alberto Saiani, et al.
ACS Chemical Neuroscience
|
July 13, 2019
Tracing the GSAP-APP C-99 Interaction Site in the β-Amyloid Pathway Leading to Alzheimer's Disease
Deekshi Angira, Rupesh Chikhale, Kapilkumar Mehta, et al.
Chemical Science
|
August 16, 2024
Stable and accurate atomistic simulations of flexible molecules using conformationally generalisable machine learned potentials
Christopher D Williams, Jas Kalayan, Neil A Burton, et al.
Journal of Molecular Graphics & Modelling
|
July 20, 2014
Protein tyrosine phosphatases: Ligand interaction analysis and optimisation of virtual screening
Mohammad A Ghattas, Noor Atatreh, Elena V Bichenkova, et al.
Page
of 9