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Current Opinion in Drug Discovery & Development
|
September 2, 2004
Structure-guided fragment screening for lead discovery
Marcel L Verdonk, Michael J Hartshorn
Chemmedchem
|
July 25, 2008
Group efficiency: a guideline for hits-to-leads chemistry
Marcel L Verdonk, David C Rees
Journal of Computer-Aided Molecular Design
|
March 26, 2003
The consequences of translational and rotational entropy lost by small molecules on binding to proteins
Christopher W Murray, Marcel L Verdonk
Proteins
|
August 18, 2005
General and targeted statistical potentials for protein-ligand interactions
Wijnand T M Mooij, Marcel L Verdonk
Journal of Medicinal Chemistry
|
December 8, 2006
Protein-ligand binding affinity predictions by implicit solvent simulations: a tool for lead optimization?
Julien Michel, Marcel L Verdonk, Jonathan W Essex
Journal of Chemical Theory and Computation
|
December 3, 2015
Protein-Ligand Complexes: Computation of the Relative Free Energy of Different Scaffolds and Binding Modes
Julien Michel, Marcel L Verdonk, Jonathan W Essex
Trends in Pharmacological Sciences
|
March 31, 2012
Experiences in fragment-based drug discovery
Christopher W Murray, Marcel L Verdonk, David C Rees
Journal of Medicinal Chemistry
|
July 18, 2017
The Fragment Network: A Chemistry Recommendation Engine Built Using a Graph Database
Richard J Hall, Christopher W Murray, Marcel L Verdonk
Journal of Medicinal Chemistry
|
September 26, 2019
Practical High-Quality Electrostatic Potential Surfaces for Drug Discovery Using a Graph-Convolutional Deep Neural Network
Prakash Chandra Rathi, R Frederick Ludlow, Marcel L Verdonk
Journal of Medicinal Chemistry
|
June 30, 2016
Protein-Ligand Informatics Force Field (PLIff): Toward a Fully Knowledge Driven "Force Field" for Biomolecular Interactions
Marcel L Verdonk, R Frederick Ludlow, Ilenia Giangreco, et al.
Page
of 3
Search research articles
Search
Showing results (1-10 of 30) with videos related to
Sort By:
Page
of 3
Current Opinion in Drug Discovery & Development
|
September 2, 2004
Structure-guided fragment screening for lead discovery
Marcel L Verdonk, Michael J Hartshorn
Chemmedchem
|
July 25, 2008
Group efficiency: a guideline for hits-to-leads chemistry
Marcel L Verdonk, David C Rees
Journal of Computer-Aided Molecular Design
|
March 26, 2003
The consequences of translational and rotational entropy lost by small molecules on binding to proteins
Christopher W Murray, Marcel L Verdonk
Proteins
|
August 18, 2005
General and targeted statistical potentials for protein-ligand interactions
Wijnand T M Mooij, Marcel L Verdonk
Journal of Medicinal Chemistry
|
December 8, 2006
Protein-ligand binding affinity predictions by implicit solvent simulations: a tool for lead optimization?
Julien Michel, Marcel L Verdonk, Jonathan W Essex
Journal of Chemical Theory and Computation
|
December 3, 2015
Protein-Ligand Complexes: Computation of the Relative Free Energy of Different Scaffolds and Binding Modes
Julien Michel, Marcel L Verdonk, Jonathan W Essex
Trends in Pharmacological Sciences
|
March 31, 2012
Experiences in fragment-based drug discovery
Christopher W Murray, Marcel L Verdonk, David C Rees
Journal of Medicinal Chemistry
|
July 18, 2017
The Fragment Network: A Chemistry Recommendation Engine Built Using a Graph Database
Richard J Hall, Christopher W Murray, Marcel L Verdonk
Journal of Medicinal Chemistry
|
September 26, 2019
Practical High-Quality Electrostatic Potential Surfaces for Drug Discovery Using a Graph-Convolutional Deep Neural Network
Prakash Chandra Rathi, R Frederick Ludlow, Marcel L Verdonk
Journal of Medicinal Chemistry
|
June 30, 2016
Protein-Ligand Informatics Force Field (PLIff): Toward a Fully Knowledge Driven "Force Field" for Biomolecular Interactions
Marcel L Verdonk, R Frederick Ludlow, Ilenia Giangreco, et al.
Page
of 3