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Journal of Computer-Aided Molecular Design
|
October 5, 2016
On the fly estimation of host-guest binding free energies using the movable type method: participation in the SAMPL5 blind challenge
Nupur Bansal, Zheng Zheng, David S Cerutti, et al.
Journal of the American Chemical Society
|
January 16, 2003
Insights into the acylation mechanism of class A beta-lactamases from molecular dynamics simulations of the TEM-1 enzyme complexed with benzylpenicillin
Natalia Díaz, Tomás L Sordo, Kenneth M Merz, et al.
Journal of Computer-Aided Molecular Design
|
August 26, 2018
Detailed potential of mean force studies on host-guest systems from the SAMPL6 challenge
Lin Frank Song, Nupur Bansal, Zheng Zheng, et al.
Journal of Chemical Theory and Computation
|
June 9, 2020
Systematic Parametrization of Divalent Metal Ions for the OPC3, OPC, TIP3P-FB, and TIP4P-FB Water Models
Zhen Li, Lin Frank Song, Pengfei Li, et al.
Biochemistry
|
March 6, 2012
Catalytic mechanism of aromatic prenylation by NphB
Yue Yang, Yipu Miao, Bing Wang, et al.
Journal of the American Chemical Society
|
October 28, 2011
Insight into the cation-π interaction at the metal binding site of the copper metallochaperone CusF
Dhruva K Chakravorty, Bing Wang, Melek N Ucisik, et al.
Journal of Chemical Theory and Computation
|
May 8, 2014
Bringing Clarity to the Prediction of Protein-Ligand Binding Free Energies via "Blurring"
Melek N Ucisik, Zheng Zheng, John C Faver, et al.
JACS Au
|
November 29, 2024
Mg<sup>2+</sup>-Ion Dependence Revealed for a BAHD 13-<i>O</i>-β-Aminoacyltransferase from <i>Taxus</i> Plants
Aimen Al-Hilfi, Zhen Li, Kenneth M Merz, et al.
Biophysical Chemistry
|
September 12, 2006
Interaction energy decomposition in protein-protein association: a quantum mechanical study of barnase-barstar complex
Abdessamad Ababou, Arjan van der Vaart, Valentin Gogonea, et al.
Journal of Chemical Information and Modeling
|
January 17, 2015
Reduction of urease activity by interaction with the flap covering the active site
Lee Macomber, Mona S Minkara, Robert P Hausinger, et al.
Page
of 34
Search research articles
Search
Showing results (141-150 of 332) with videos related to
Sort By:
Page
of 34
Journal of Computer-Aided Molecular Design
|
October 5, 2016
On the fly estimation of host-guest binding free energies using the movable type method: participation in the SAMPL5 blind challenge
Nupur Bansal, Zheng Zheng, David S Cerutti, et al.
Journal of the American Chemical Society
|
January 16, 2003
Insights into the acylation mechanism of class A beta-lactamases from molecular dynamics simulations of the TEM-1 enzyme complexed with benzylpenicillin
Natalia Díaz, Tomás L Sordo, Kenneth M Merz, et al.
Journal of Computer-Aided Molecular Design
|
August 26, 2018
Detailed potential of mean force studies on host-guest systems from the SAMPL6 challenge
Lin Frank Song, Nupur Bansal, Zheng Zheng, et al.
Journal of Chemical Theory and Computation
|
June 9, 2020
Systematic Parametrization of Divalent Metal Ions for the OPC3, OPC, TIP3P-FB, and TIP4P-FB Water Models
Zhen Li, Lin Frank Song, Pengfei Li, et al.
Biochemistry
|
March 6, 2012
Catalytic mechanism of aromatic prenylation by NphB
Yue Yang, Yipu Miao, Bing Wang, et al.
Journal of the American Chemical Society
|
October 28, 2011
Insight into the cation-π interaction at the metal binding site of the copper metallochaperone CusF
Dhruva K Chakravorty, Bing Wang, Melek N Ucisik, et al.
Journal of Chemical Theory and Computation
|
May 8, 2014
Bringing Clarity to the Prediction of Protein-Ligand Binding Free Energies via "Blurring"
Melek N Ucisik, Zheng Zheng, John C Faver, et al.
JACS Au
|
November 29, 2024
Mg<sup>2+</sup>-Ion Dependence Revealed for a BAHD 13-<i>O</i>-β-Aminoacyltransferase from <i>Taxus</i> Plants
Aimen Al-Hilfi, Zhen Li, Kenneth M Merz, et al.
Biophysical Chemistry
|
September 12, 2006
Interaction energy decomposition in protein-protein association: a quantum mechanical study of barnase-barstar complex
Abdessamad Ababou, Arjan van der Vaart, Valentin Gogonea, et al.
Journal of Chemical Information and Modeling
|
January 17, 2015
Reduction of urease activity by interaction with the flap covering the active site
Lee Macomber, Mona S Minkara, Robert P Hausinger, et al.
Page
of 34