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Kenneth M Merz

Showing results (91-100 of 332) with videos related to

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Current Opinion in Structural Biology|July 2, 2022
Computer-aided drug design, quantum-mechanical methods for biological problemsMadushanka Manathunga, Andreas W Götz, Kenneth M Merz
Journal of Chemical Information and Modeling|April 22, 2024
Enhancing Coarse-Grained Models through Machine LearningTarak Karmakar, Thereza A Soares, Kenneth M Merz
The Journal of Physical Chemistry. B|May 4, 2007
An ab initio investigation of the interactions involving the aromatic group of the set of fluorinated N-(4-sulfamylbenzoyl)benzylamine inhibitors and human carbonic anhydrase IIKevin E Riley, Guanglei Cui, Kenneth M Merz
Journal of Chemical Theory and Computation|February 19, 2014
The Movable Type Method Applied to Protein-Ligand BindingZheng Zheng, Melek N Ucisik, Kenneth M Merz
Journal of Inorganic Biochemistry|February 2, 2010
QM/MM X-ray refinement of zinc metalloenzymesXue Li, Seth A Hayik, Kenneth M Merz
Biochemistry|October 7, 2010
Finding a needle in the haystack: computational modeling of Mg2+ binding in the active site of protein farnesyltransferaseYue Yang, Dhruva K Chakravorty, Kenneth M Merz
Acta Crystallographica. Section D, Biological Crystallography|March 1, 2005
Refinement of protein crystal structures using energy restraints derived from linear-scaling quantum mechanicsNing Yu, Hemant P Yennawar, Kenneth M Merz
Journal of the American Chemical Society|March 24, 2005
Hybrid QM/MM and DFT investigations of the catalytic mechanism and inhibition of the dinuclear zinc metallo-beta-lactamase CcrA from Bacteroides fragilisHwangseo Park, Edward N Brothers, Kenneth M Merz
The Journal of Physical Chemistry. A|August 22, 2009
Accurate benchmark calculations on the gas-phase basicities of small moleculesXiao He, Laszlo Fusti-Molnar, Kenneth M Merz
Journal of Chemical Information and Modeling|March 29, 2021
AutoGraph: Autonomous Graph-Based Clustering of Small-Molecule ConformationsKiyoto Aramis Tanemura, Susanta Das, Kenneth M Merz
Pageof 34

Showing results (91-100 of 332) with videos related to

Sort By:
Pageof 34
Current Opinion in Structural Biology|July 2, 2022
Computer-aided drug design, quantum-mechanical methods for biological problemsMadushanka Manathunga, Andreas W Götz, Kenneth M Merz
Journal of Chemical Information and Modeling|April 22, 2024
Enhancing Coarse-Grained Models through Machine LearningTarak Karmakar, Thereza A Soares, Kenneth M Merz
The Journal of Physical Chemistry. B|May 4, 2007
An ab initio investigation of the interactions involving the aromatic group of the set of fluorinated N-(4-sulfamylbenzoyl)benzylamine inhibitors and human carbonic anhydrase IIKevin E Riley, Guanglei Cui, Kenneth M Merz
Journal of Chemical Theory and Computation|February 19, 2014
The Movable Type Method Applied to Protein-Ligand BindingZheng Zheng, Melek N Ucisik, Kenneth M Merz
Journal of Inorganic Biochemistry|February 2, 2010
QM/MM X-ray refinement of zinc metalloenzymesXue Li, Seth A Hayik, Kenneth M Merz
Biochemistry|October 7, 2010
Finding a needle in the haystack: computational modeling of Mg2+ binding in the active site of protein farnesyltransferaseYue Yang, Dhruva K Chakravorty, Kenneth M Merz
Acta Crystallographica. Section D, Biological Crystallography|March 1, 2005
Refinement of protein crystal structures using energy restraints derived from linear-scaling quantum mechanicsNing Yu, Hemant P Yennawar, Kenneth M Merz
Journal of the American Chemical Society|March 24, 2005
Hybrid QM/MM and DFT investigations of the catalytic mechanism and inhibition of the dinuclear zinc metallo-beta-lactamase CcrA from Bacteroides fragilisHwangseo Park, Edward N Brothers, Kenneth M Merz
The Journal of Physical Chemistry. A|August 22, 2009
Accurate benchmark calculations on the gas-phase basicities of small moleculesXiao He, Laszlo Fusti-Molnar, Kenneth M Merz
Journal of Chemical Information and Modeling|March 29, 2021
AutoGraph: Autonomous Graph-Based Clustering of Small-Molecule ConformationsKiyoto Aramis Tanemura, Susanta Das, Kenneth M Merz
Pageof 34