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Expert Opinion on Drug Metabolism & Toxicology
|
February 25, 2009
Computational approaches to predict drug metabolism
Paul Czodrowski, Jan M Kriegl, Stefan Scheuerer, et al.
Proteins
|
August 24, 2006
Development, validation, and application of adapted PEOE charges to estimate pKa values of functional groups in protein-ligand complexes
Paul Czodrowski, Ingo Dramburg, Christoph A Sotriffer, et al.
Journal of Chemical Information and Modeling
|
October 20, 2021
Pseudonatural Products Occur Frequently in Biologically Relevant Compounds
José-Manuel Gally, Axel Pahl, Paul Czodrowski, et al.
Journal of Molecular Biology
|
October 2, 2007
Tracing changes in protonation: a prerequisite to factorize thermodynamic data of inhibitor binding to aldose reductase
Holger Steuber, Paul Czodrowski, Christoph A Sotriffer, et al.
RSC Medicinal Chemistry
|
August 16, 2024
Identification of lysosomotropism using explainable machine learning and morphological profiling cell painting data
Aishvarya Tandon, Anna Santura, Herbert Waldmann, et al.
Journal of Chemical Theory and Computation
|
July 12, 2016
Perturbation Approaches for Exploring Protein Binding Site Flexibility to Predict Transient Binding Pockets
Daria B Kokh, Paul Czodrowski, Friedrich Rippmann, et al.
Journal of Medicinal Chemistry
|
December 2, 2014
Selection of fragments for kinase inhibitor design: decoration is key
Paul Czodrowski, Günter Hölzemann, Gerhard Barnickel, et al.
Chemmedchem
|
January 14, 2025
Protonation Effects in Protein-Ligand Complexes - A Case Study of Endothiapepsin and Pepstatin A with Computational and Experimental Methods
Helge Vatheuer, Oscar Palomino-Hernández, Janis Müller, et al.
Journal of Chemical Information and Modeling
|
April 30, 2013
TRAPP: a tool for analysis of transient binding pockets in proteins
Daria B Kokh, Stefan Richter, Stefan Henrich, et al.
Scientific Reports
|
July 2, 2025
Cross modality learning of cell painting and transcriptomics data improves mechanism of action clustering and bioactivity modelling
Son V Ha, Steffen Jaensch, Maciej M Kańduła, et al.
Page
of 5
Search research articles
Search
Showing results (11-20 of 44) with videos related to
Sort By:
Page
of 5
Expert Opinion on Drug Metabolism & Toxicology
|
February 25, 2009
Computational approaches to predict drug metabolism
Paul Czodrowski, Jan M Kriegl, Stefan Scheuerer, et al.
Proteins
|
August 24, 2006
Development, validation, and application of adapted PEOE charges to estimate pKa values of functional groups in protein-ligand complexes
Paul Czodrowski, Ingo Dramburg, Christoph A Sotriffer, et al.
Journal of Chemical Information and Modeling
|
October 20, 2021
Pseudonatural Products Occur Frequently in Biologically Relevant Compounds
José-Manuel Gally, Axel Pahl, Paul Czodrowski, et al.
Journal of Molecular Biology
|
October 2, 2007
Tracing changes in protonation: a prerequisite to factorize thermodynamic data of inhibitor binding to aldose reductase
Holger Steuber, Paul Czodrowski, Christoph A Sotriffer, et al.
RSC Medicinal Chemistry
|
August 16, 2024
Identification of lysosomotropism using explainable machine learning and morphological profiling cell painting data
Aishvarya Tandon, Anna Santura, Herbert Waldmann, et al.
Journal of Chemical Theory and Computation
|
July 12, 2016
Perturbation Approaches for Exploring Protein Binding Site Flexibility to Predict Transient Binding Pockets
Daria B Kokh, Paul Czodrowski, Friedrich Rippmann, et al.
Journal of Medicinal Chemistry
|
December 2, 2014
Selection of fragments for kinase inhibitor design: decoration is key
Paul Czodrowski, Günter Hölzemann, Gerhard Barnickel, et al.
Chemmedchem
|
January 14, 2025
Protonation Effects in Protein-Ligand Complexes - A Case Study of Endothiapepsin and Pepstatin A with Computational and Experimental Methods
Helge Vatheuer, Oscar Palomino-Hernández, Janis Müller, et al.
Journal of Chemical Information and Modeling
|
April 30, 2013
TRAPP: a tool for analysis of transient binding pockets in proteins
Daria B Kokh, Stefan Richter, Stefan Henrich, et al.
Scientific Reports
|
July 2, 2025
Cross modality learning of cell painting and transcriptomics data improves mechanism of action clustering and bioactivity modelling
Son V Ha, Steffen Jaensch, Maciej M Kańduła, et al.
Page
of 5