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Journal of Chemical Information and Modeling
|
September 8, 2020
An ABSINTH-Based Protocol for Predicting Binding Affinities between Proteins and Small Molecules
Jean-Rémy Marchand, Tim Knehans, Amedeo Caflisch, et al.
Journal of the American Chemical Society
|
February 5, 2014
Experimental and computational study of BODIPY dye-labeled cavitand dynamics
Igor Pochorovski, Tim Knehans, Daniel Nettels, et al.
Journal of Computer-Aided Molecular Design
|
February 24, 2011
Structure-guided fragment-based in silico drug design of dengue protease inhibitors
Tim Knehans, Andreas Schüller, Danny N Doan, et al.
Biochemistry
|
September 22, 2016
Correction to Concurrent Cooperativity and Substrate Inhibition in the Epoxidation of Carbamazepine by Cytochrome P450 3A4 Active Site Mutants Inspired by Molecular Dynamics Simulations
Christian S Müller, Tim Knehans, Dmitri R Davydov, et al.
Biochemistry
|
December 30, 2014
Concurrent cooperativity and substrate inhibition in the epoxidation of carbamazepine by cytochrome P450 3A4 active site mutants inspired by molecular dynamics simulations
Christian S Müller, Tim Knehans, Dmitri R Davydov, et al.
Bioconjugate Chemistry
|
March 6, 2020
Site-Specific Conjugation of Native Antibodies Using Engineered Microbial Transglutaminases
Stephan Dickgiesser, Marcel Rieker, Dirk Mueller-Pompalla, et al.
Journal of Medicinal Chemistry
|
August 15, 2018
Discovery of a Locally and Orally Active CXCL12 Neutraligand (LIT-927) with Anti-inflammatory Effect in a Murine Model of Allergic Airway Hypereosinophilia
Pierre Regenass, Dayana Abboud, François Daubeuf, et al.
Bioorganic & Medicinal Chemistry
|
March 22, 2024
Exploiting high-energy hydration sites for the discovery of potent peptide aldehyde inhibitors of the SARS-CoV-2 main protease with cellular antiviral activity
Daniel W Carney, Abba E Leffler, Jeffrey A Bell, et al.
Journal of Medicinal Chemistry
|
July 5, 2023
Discovery of Cycloalkyl[<i>c</i>]thiophenes as Novel Scaffolds for Hypoxia-Inducible Factor-2α Inhibitors
Hans-Peter Buchstaller, Ada Sala-Hojman, Matthias Leiendecker, et al.
Journal of Chemical Information and Modeling
|
August 20, 2020
Large-Scale Assessment of Binding Free Energy Calculations in Active Drug Discovery Projects
Christina E M Schindler, Hannah Baumann, Andreas Blum, et al.
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Search research articles
Search
Showing results (1-10 of 10) with videos related to
Sort By:
Page
of 1
Journal of Chemical Information and Modeling
|
September 8, 2020
An ABSINTH-Based Protocol for Predicting Binding Affinities between Proteins and Small Molecules
Jean-Rémy Marchand, Tim Knehans, Amedeo Caflisch, et al.
Journal of the American Chemical Society
|
February 5, 2014
Experimental and computational study of BODIPY dye-labeled cavitand dynamics
Igor Pochorovski, Tim Knehans, Daniel Nettels, et al.
Journal of Computer-Aided Molecular Design
|
February 24, 2011
Structure-guided fragment-based in silico drug design of dengue protease inhibitors
Tim Knehans, Andreas Schüller, Danny N Doan, et al.
Biochemistry
|
September 22, 2016
Correction to Concurrent Cooperativity and Substrate Inhibition in the Epoxidation of Carbamazepine by Cytochrome P450 3A4 Active Site Mutants Inspired by Molecular Dynamics Simulations
Christian S Müller, Tim Knehans, Dmitri R Davydov, et al.
Biochemistry
|
December 30, 2014
Concurrent cooperativity and substrate inhibition in the epoxidation of carbamazepine by cytochrome P450 3A4 active site mutants inspired by molecular dynamics simulations
Christian S Müller, Tim Knehans, Dmitri R Davydov, et al.
Bioconjugate Chemistry
|
March 6, 2020
Site-Specific Conjugation of Native Antibodies Using Engineered Microbial Transglutaminases
Stephan Dickgiesser, Marcel Rieker, Dirk Mueller-Pompalla, et al.
Journal of Medicinal Chemistry
|
August 15, 2018
Discovery of a Locally and Orally Active CXCL12 Neutraligand (LIT-927) with Anti-inflammatory Effect in a Murine Model of Allergic Airway Hypereosinophilia
Pierre Regenass, Dayana Abboud, François Daubeuf, et al.
Bioorganic & Medicinal Chemistry
|
March 22, 2024
Exploiting high-energy hydration sites for the discovery of potent peptide aldehyde inhibitors of the SARS-CoV-2 main protease with cellular antiviral activity
Daniel W Carney, Abba E Leffler, Jeffrey A Bell, et al.
Journal of Medicinal Chemistry
|
July 5, 2023
Discovery of Cycloalkyl[<i>c</i>]thiophenes as Novel Scaffolds for Hypoxia-Inducible Factor-2α Inhibitors
Hans-Peter Buchstaller, Ada Sala-Hojman, Matthias Leiendecker, et al.
Journal of Chemical Information and Modeling
|
August 20, 2020
Large-Scale Assessment of Binding Free Energy Calculations in Active Drug Discovery Projects
Christina E M Schindler, Hannah Baumann, Andreas Blum, et al.
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of 1