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Physical Chemistry Chemical Physics : PCCP
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May 31, 2012
Solution and nanoscale structure selection: implications for the crystal energy landscape of tetrolic acid
Matthew Habgood
Journal of Computer-Aided Molecular Design
|
July 11, 2018
Conformational ensemble comparison for small molecules in drug discovery
Matthew Habgood
Journal of Computer-Aided Molecular Design
|
December 1, 2017
Bioactive focus in conformational ensembles: a pluralistic approach
Matthew Habgood
Methods in Molecular Biology (Clifton, N.J.)
|
February 5, 2020
Conformational Searching with Quantum Mechanics
Matthew Habgood, Tim James, Alexander Heifetz
Physical Chemistry Chemical Physics : PCCP
|
April 19, 2011
Substitutional and orientational disorder in organic crystals: a symmetry-adapted ensemble model
Matthew Habgood, Ricardo Grau-Crespo, Sarah L Price
ACS Medicinal Chemistry Letters
|
June 18, 2025
Active Learning FEP Using 3D-QSAR for Prioritizing Bioisosteres in Medicinal Chemistry
Venkata K Ramaswamy, Matthew Habgood, Mark D Mackey
Journal of Chemical Information and Modeling
|
January 9, 2025
Adaptive Lambda Scheduling: A Method for Computational Efficiency in Free Energy Perturbation Simulations
Scott D Midgley, Sofia Bariami, Matthew Habgood, et al.
Journal of Physics. Condensed Matter : an Institute of Physics Journal
|
August 6, 2011
Scattering-induced entanglement between spin qubits at remote two-state structures
Matthew Habgood, John H Jefferson, G Andrew D Briggs
Journal of Chemical Theory and Computation
|
November 26, 2015
Testing a Variety of Electronic-Structure-Based Methods for the Relative Energies of 5-Formyluracil Crystals
Matthew Habgood, Sarah L Price, Gustavo Portalone, 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.
Page
of 2
Search research articles
Search
Showing results (1-10 of 15) with videos related to
Sort By:
Page
of 2
Physical Chemistry Chemical Physics : PCCP
|
May 31, 2012
Solution and nanoscale structure selection: implications for the crystal energy landscape of tetrolic acid
Matthew Habgood
Journal of Computer-Aided Molecular Design
|
July 11, 2018
Conformational ensemble comparison for small molecules in drug discovery
Matthew Habgood
Journal of Computer-Aided Molecular Design
|
December 1, 2017
Bioactive focus in conformational ensembles: a pluralistic approach
Matthew Habgood
Methods in Molecular Biology (Clifton, N.J.)
|
February 5, 2020
Conformational Searching with Quantum Mechanics
Matthew Habgood, Tim James, Alexander Heifetz
Physical Chemistry Chemical Physics : PCCP
|
April 19, 2011
Substitutional and orientational disorder in organic crystals: a symmetry-adapted ensemble model
Matthew Habgood, Ricardo Grau-Crespo, Sarah L Price
ACS Medicinal Chemistry Letters
|
June 18, 2025
Active Learning FEP Using 3D-QSAR for Prioritizing Bioisosteres in Medicinal Chemistry
Venkata K Ramaswamy, Matthew Habgood, Mark D Mackey
Journal of Chemical Information and Modeling
|
January 9, 2025
Adaptive Lambda Scheduling: A Method for Computational Efficiency in Free Energy Perturbation Simulations
Scott D Midgley, Sofia Bariami, Matthew Habgood, et al.
Journal of Physics. Condensed Matter : an Institute of Physics Journal
|
August 6, 2011
Scattering-induced entanglement between spin qubits at remote two-state structures
Matthew Habgood, John H Jefferson, G Andrew D Briggs
Journal of Chemical Theory and Computation
|
November 26, 2015
Testing a Variety of Electronic-Structure-Based Methods for the Relative Energies of 5-Formyluracil Crystals
Matthew Habgood, Sarah L Price, Gustavo Portalone, 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.
Page
of 2