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Current Topics in Medicinal Chemistry
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April 18, 2017
A Critical Review of Validation, Blind Testing, and Real- World Use of Alchemical Protein-Ligand Binding Free Energy Calculations
Robert Abel, Lingle Wang, David L Mobley, et al.
Proteins
|
September 19, 2006
Comparison of multiple Amber force fields and development of improved protein backbone parameters
Viktor Hornak, Robert Abel, Asim Okur, et al.
Journal of the American Chemical Society
|
February 13, 2008
Role of the active-site solvent in the thermodynamics of factor Xa ligand binding
Robert Abel, Tom Young, Ramy Farid, et al.
Journal of Chemical Theory and Computation
|
October 31, 2018
Accurate Calculation of Relative Binding Free Energies between Ligands with Different Net Charges
Wei Chen, Yuqing Deng, Ellery Russell, et al.
Journal of Chemical Theory and Computation
|
December 13, 2018
Rigorous Free Energy Perturbation Approach to Estimating Relative Binding Affinities between Ligands with Multiple Protonation and Tautomeric States
César de Oliveira, Haoyu S Yu, Wei Chen, et al.
Journal of Chemical Theory and Computation
|
September 25, 2019
Correction to "Rigorous Free Energy Perturbation Approach to Estimating Relative Binding Affinities between Ligands with Multiple Protonation and Tautomeric States"
César de Oliveira, Haoyu S Yu, Wei Chen, et al.
Journal of Cardiothoracic and Vascular Anesthesia
|
December 18, 2002
A combination of intrathecal morphine and remifentanil anesthesia for fast-track cardiac anesthesia and surgery
Ian Bowler, George Djaiani, Robert Abel, et al.
Proceedings of the National Academy of Sciences of the United States of America
|
January 6, 2007
Motifs for molecular recognition exploiting hydrophobic enclosure in protein-ligand binding
Tom Young, Robert Abel, Byungchan Kim, et al.
Proteins
|
January 7, 2012
Thermodynamic analysis of water molecules at the surface of proteins and applications to binding site prediction and characterization
Thijs Beuming, Ye Che, Robert Abel, et al.
Proteins
|
March 13, 2010
Dewetting transitions in protein cavities
Tom Young, Lan Hua, Xuhui Huang, et al.
Page
of 9
Search research articles
Search
Showing results (11-20 of 82) with videos related to
Sort By:
Page
of 9
Current Topics in Medicinal Chemistry
|
April 18, 2017
A Critical Review of Validation, Blind Testing, and Real- World Use of Alchemical Protein-Ligand Binding Free Energy Calculations
Robert Abel, Lingle Wang, David L Mobley, et al.
Proteins
|
September 19, 2006
Comparison of multiple Amber force fields and development of improved protein backbone parameters
Viktor Hornak, Robert Abel, Asim Okur, et al.
Journal of the American Chemical Society
|
February 13, 2008
Role of the active-site solvent in the thermodynamics of factor Xa ligand binding
Robert Abel, Tom Young, Ramy Farid, et al.
Journal of Chemical Theory and Computation
|
October 31, 2018
Accurate Calculation of Relative Binding Free Energies between Ligands with Different Net Charges
Wei Chen, Yuqing Deng, Ellery Russell, et al.
Journal of Chemical Theory and Computation
|
December 13, 2018
Rigorous Free Energy Perturbation Approach to Estimating Relative Binding Affinities between Ligands with Multiple Protonation and Tautomeric States
César de Oliveira, Haoyu S Yu, Wei Chen, et al.
Journal of Chemical Theory and Computation
|
September 25, 2019
Correction to "Rigorous Free Energy Perturbation Approach to Estimating Relative Binding Affinities between Ligands with Multiple Protonation and Tautomeric States"
César de Oliveira, Haoyu S Yu, Wei Chen, et al.
Journal of Cardiothoracic and Vascular Anesthesia
|
December 18, 2002
A combination of intrathecal morphine and remifentanil anesthesia for fast-track cardiac anesthesia and surgery
Ian Bowler, George Djaiani, Robert Abel, et al.
Proceedings of the National Academy of Sciences of the United States of America
|
January 6, 2007
Motifs for molecular recognition exploiting hydrophobic enclosure in protein-ligand binding
Tom Young, Robert Abel, Byungchan Kim, et al.
Proteins
|
January 7, 2012
Thermodynamic analysis of water molecules at the surface of proteins and applications to binding site prediction and characterization
Thijs Beuming, Ye Che, Robert Abel, et al.
Proteins
|
March 13, 2010
Dewetting transitions in protein cavities
Tom Young, Lan Hua, Xuhui Huang, et al.
Page
of 9