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Proceedings of the National Academy of Sciences of the United States of America
|
March 9, 2005
A binding mechanism in protein-nucleotide interactions: implication for U1A RNA binding
Victor Guallar, Kenneth W Borrelli
Journal of Computational Chemistry
|
November 4, 2009
Exploring hierarchical refinement techniques for induced fit docking with protein and ligand flexibility
Kenneth W Borrelli, Benjamin Cossins, Victor Guallar
Journal of Chemical Theory and Computation
|
December 4, 2015
PELE: Protein Energy Landscape Exploration. A Novel Monte Carlo Based Technique
Kenneth W Borrelli, Andreas Vitalis, Raul Alcantara, et al.
Journal of Chemical Information and Modeling
|
June 17, 2014
Structure-based virtual screening approach for discovery of covalently bound ligands
Dora Toledo Warshaviak, Gali Golan, Kenneth W Borrelli, et al.
Structure (London, England : 1993)
|
April 6, 2021
Macromolecular refinement of X-ray and cryoelectron microscopy structures with Phenix/OPLS3e for improved structure and ligand quality
Gydo C P van Zundert, Nigel W Moriarty, Oleg V Sobolev, et al.
Journal of Chemical Information and Modeling
|
June 12, 2014
Docking covalent inhibitors: a parameter free approach to pose prediction and scoring
Kai Zhu, Kenneth W Borrelli, Jeremy R Greenwood, et al.
Journal of Chemical Theory and Computation
|
August 16, 2022
Induced-Fit Docking Enables Accurate Free Energy Perturbation Calculations in Homology Models
Tianchuan Xu, Kai Zhu, Alexandre Beautrait, et al.
The FEBS Journal
|
February 3, 2015
Aromatic stacking interactions govern catalysis in aryl-alcohol oxidase
Patricia Ferreira, Aitor Hernández-Ortega, Fátima Lucas, et al.
Journal of Chemical Theory and Computation
|
November 21, 2015
Leveraging Data Fusion Strategies in Multireceptor Lead Optimization MM/GBSA End-Point Methods
Jennifer L Knight, Goran Krilov, Kenneth W Borrelli, et al.
Journal of Chemical Theory and Computation
|
March 29, 2021
Reliable and Accurate Solution to the Induced Fit Docking Problem for Protein-Ligand Binding
Edward B Miller, Robert B Murphy, Daniel Sindhikara, et al.
Page
of 1
Search research articles
Search
Showing results (1-10 of 10) with videos related to
Sort By:
Page
of 1
Proceedings of the National Academy of Sciences of the United States of America
|
March 9, 2005
A binding mechanism in protein-nucleotide interactions: implication for U1A RNA binding
Victor Guallar, Kenneth W Borrelli
Journal of Computational Chemistry
|
November 4, 2009
Exploring hierarchical refinement techniques for induced fit docking with protein and ligand flexibility
Kenneth W Borrelli, Benjamin Cossins, Victor Guallar
Journal of Chemical Theory and Computation
|
December 4, 2015
PELE: Protein Energy Landscape Exploration. A Novel Monte Carlo Based Technique
Kenneth W Borrelli, Andreas Vitalis, Raul Alcantara, et al.
Journal of Chemical Information and Modeling
|
June 17, 2014
Structure-based virtual screening approach for discovery of covalently bound ligands
Dora Toledo Warshaviak, Gali Golan, Kenneth W Borrelli, et al.
Structure (London, England : 1993)
|
April 6, 2021
Macromolecular refinement of X-ray and cryoelectron microscopy structures with Phenix/OPLS3e for improved structure and ligand quality
Gydo C P van Zundert, Nigel W Moriarty, Oleg V Sobolev, et al.
Journal of Chemical Information and Modeling
|
June 12, 2014
Docking covalent inhibitors: a parameter free approach to pose prediction and scoring
Kai Zhu, Kenneth W Borrelli, Jeremy R Greenwood, et al.
Journal of Chemical Theory and Computation
|
August 16, 2022
Induced-Fit Docking Enables Accurate Free Energy Perturbation Calculations in Homology Models
Tianchuan Xu, Kai Zhu, Alexandre Beautrait, et al.
The FEBS Journal
|
February 3, 2015
Aromatic stacking interactions govern catalysis in aryl-alcohol oxidase
Patricia Ferreira, Aitor Hernández-Ortega, Fátima Lucas, et al.
Journal of Chemical Theory and Computation
|
November 21, 2015
Leveraging Data Fusion Strategies in Multireceptor Lead Optimization MM/GBSA End-Point Methods
Jennifer L Knight, Goran Krilov, Kenneth W Borrelli, et al.
Journal of Chemical Theory and Computation
|
March 29, 2021
Reliable and Accurate Solution to the Induced Fit Docking Problem for Protein-Ligand Binding
Edward B Miller, Robert B Murphy, Daniel Sindhikara, et al.
Page
of 1