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Journal of Molecular Modeling
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May 30, 2014
Effect of explicit water molecules on ligand-binding affinities calculated with the MM/GBSA approach
Paulius Mikulskis, Samuel Genheden, Ulf Ryde
Journal of Computational Chemistry
|
July 13, 2002
Quantum chemical geometry optimizations in proteins using crystallographic raw data
Ulf Ryde, Lars Olsen, Kristina Nilsson
Journal of Molecular Modeling
|
February 4, 2021
QM/MM study of the binding of H<sub>2</sub> to MoCu CO dehydrogenase: development and applications of improved H<sub>2</sub> van der Waals parameters
Anna Rovaletti, Claudio Greco, Ulf Ryde
Journal of Chemical Theory and Computation
|
February 5, 2021
QM/MM Study of the Catalytic Reaction of Myrosinase; Importance of Assigning Proper Protonation States of Active-Site Residues
Sonia Jafari, Ulf Ryde, Mehdi Irani
Journal of Computer-Aided Molecular Design
|
June 25, 2011
A QM/MM study of the binding of RAPTA ligands to cathepsin B
Antonella Ciancetta, Samuel Genheden, Ulf Ryde
Faraday Discussions
|
February 17, 2011
Reductive cleavage of the O-O bond in multicopper oxidases: a QM/MM and QM study
Martin Srnec, Ulf Ryde, Lubomír Rulísek
Journal of Computer-Aided Molecular Design
|
May 16, 2009
How accurate are continuum solvation models for drug-like molecules?
Jacob Kongsted, Pär Söderhjelm, Ulf Ryde
The Journal of Physical Chemistry. B
|
July 22, 2009
Calculation of protein-ligand interaction energies by a fragmentation approach combining high-level quantum chemistry with classical many-body effects
Pär Söderhjelm, Francesco Aquilante, Ulf Ryde
Journal of Chemical Theory and Computation
|
October 26, 2018
Protonation and Reduction of the FeMo Cluster in Nitrogenase Studied by Quantum Mechanics/Molecular Mechanics (QM/MM) Calculations
Lili Cao, Octav Caldararu, Ulf Ryde
Journal of Chemical Theory and Computation
|
November 25, 2015
On the Convergence of QM/MM Energies
LiHong Hu, Pär Söderhjelm, Ulf Ryde
Page
of 24
Search research articles
Search
Showing results (61-70 of 240) with videos related to
Sort By:
Page
of 24
Journal of Molecular Modeling
|
May 30, 2014
Effect of explicit water molecules on ligand-binding affinities calculated with the MM/GBSA approach
Paulius Mikulskis, Samuel Genheden, Ulf Ryde
Journal of Computational Chemistry
|
July 13, 2002
Quantum chemical geometry optimizations in proteins using crystallographic raw data
Ulf Ryde, Lars Olsen, Kristina Nilsson
Journal of Molecular Modeling
|
February 4, 2021
QM/MM study of the binding of H<sub>2</sub> to MoCu CO dehydrogenase: development and applications of improved H<sub>2</sub> van der Waals parameters
Anna Rovaletti, Claudio Greco, Ulf Ryde
Journal of Chemical Theory and Computation
|
February 5, 2021
QM/MM Study of the Catalytic Reaction of Myrosinase; Importance of Assigning Proper Protonation States of Active-Site Residues
Sonia Jafari, Ulf Ryde, Mehdi Irani
Journal of Computer-Aided Molecular Design
|
June 25, 2011
A QM/MM study of the binding of RAPTA ligands to cathepsin B
Antonella Ciancetta, Samuel Genheden, Ulf Ryde
Faraday Discussions
|
February 17, 2011
Reductive cleavage of the O-O bond in multicopper oxidases: a QM/MM and QM study
Martin Srnec, Ulf Ryde, Lubomír Rulísek
Journal of Computer-Aided Molecular Design
|
May 16, 2009
How accurate are continuum solvation models for drug-like molecules?
Jacob Kongsted, Pär Söderhjelm, Ulf Ryde
The Journal of Physical Chemistry. B
|
July 22, 2009
Calculation of protein-ligand interaction energies by a fragmentation approach combining high-level quantum chemistry with classical many-body effects
Pär Söderhjelm, Francesco Aquilante, Ulf Ryde
Journal of Chemical Theory and Computation
|
October 26, 2018
Protonation and Reduction of the FeMo Cluster in Nitrogenase Studied by Quantum Mechanics/Molecular Mechanics (QM/MM) Calculations
Lili Cao, Octav Caldararu, Ulf Ryde
Journal of Chemical Theory and Computation
|
November 25, 2015
On the Convergence of QM/MM Energies
LiHong Hu, Pär Söderhjelm, Ulf Ryde
Page
of 24