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Journal of Chemical Information and Modeling
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November 5, 2025
PEAS: An Application for Autonomous Precision Conformation Sampling
Mithony Keng, Kenneth M Merz
Journal of Chemical Theory and Computation
|
February 17, 2025
Integrating Machine Learning and Quantum Circuits for Proton Affinity Predictions
Hongni Jin, Kenneth M Merz
Journal of Chemical Information and Modeling
|
April 8, 2024
Modeling Zinc Complexes Using Neural Networks
Hongni Jin, Kenneth M Merz
Journal of Chemical Theory and Computation
|
May 14, 2024
LigandDiff: de Novo Ligand Design for 3D Transition Metal Complexes with Diffusion Models
Hongni Jin, Kenneth M Merz
Molecular Physics
|
June 18, 2010
Assessment of the CCSD and CCSD(T) Coupled-Cluster Methods in Calculating Heats of Formation for Cu Complexes
Michael N Weaver, Kenneth M Merz
The Journal of Physical Chemistry. B
|
August 11, 2006
Role of solvation in the energy stabilization inside the hydrophobic core of the protein rubredoxin
Kevin E Riley, Kenneth M Merz
The Journal of Physical Chemistry. A
|
February 15, 2007
Insights into the strength and origin of halogen bonding: the halobenzene-formaldehyde dimer
Kevin E Riley, Kenneth M Merz
Accounts of Chemical Research
|
December 25, 2014
Role of substrate dynamics in protein prenylation reactions
Dhruva K Chakravorty, Kenneth M Merz
Advances in Protein Chemistry and Structural Biology
|
December 3, 2014
Studying allosteric regulation in metal sensor proteins using computational methods
Dhruva K Chakravorty, Kenneth M Merz
Journal of Chemical Theory and Computation
|
December 3, 2015
Semiempirical Comparative Binding Energy Analysis (SE-COMBINE) of a Series of Trypsin Inhibitors
Martin B Peters, Kenneth M Merz
Page
of 34
Search research articles
Search
Showing results (41-50 of 332) with videos related to
Sort By:
Page
of 34
Journal of Chemical Information and Modeling
|
November 5, 2025
PEAS: An Application for Autonomous Precision Conformation Sampling
Mithony Keng, Kenneth M Merz
Journal of Chemical Theory and Computation
|
February 17, 2025
Integrating Machine Learning and Quantum Circuits for Proton Affinity Predictions
Hongni Jin, Kenneth M Merz
Journal of Chemical Information and Modeling
|
April 8, 2024
Modeling Zinc Complexes Using Neural Networks
Hongni Jin, Kenneth M Merz
Journal of Chemical Theory and Computation
|
May 14, 2024
LigandDiff: de Novo Ligand Design for 3D Transition Metal Complexes with Diffusion Models
Hongni Jin, Kenneth M Merz
Molecular Physics
|
June 18, 2010
Assessment of the CCSD and CCSD(T) Coupled-Cluster Methods in Calculating Heats of Formation for Cu Complexes
Michael N Weaver, Kenneth M Merz
The Journal of Physical Chemistry. B
|
August 11, 2006
Role of solvation in the energy stabilization inside the hydrophobic core of the protein rubredoxin
Kevin E Riley, Kenneth M Merz
The Journal of Physical Chemistry. A
|
February 15, 2007
Insights into the strength and origin of halogen bonding: the halobenzene-formaldehyde dimer
Kevin E Riley, Kenneth M Merz
Accounts of Chemical Research
|
December 25, 2014
Role of substrate dynamics in protein prenylation reactions
Dhruva K Chakravorty, Kenneth M Merz
Advances in Protein Chemistry and Structural Biology
|
December 3, 2014
Studying allosteric regulation in metal sensor proteins using computational methods
Dhruva K Chakravorty, Kenneth M Merz
Journal of Chemical Theory and Computation
|
December 3, 2015
Semiempirical Comparative Binding Energy Analysis (SE-COMBINE) of a Series of Trypsin Inhibitors
Martin B Peters, Kenneth M Merz
Page
of 34