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Journal of Computer-Aided Molecular Design
|
January 17, 2018
Validation of tautomeric and protomeric binding modes by free energy calculations. A case study for the structure based optimization of D-amino acid oxidase inhibitors
Zoltán Orgován, György G Ferenczy, Thomas Steinbrecher, et al.
Chemmedchem
|
September 13, 2007
Homology modeling of NR2B modulatory domain of NMDA receptor and analysis of ifenprodil binding
Luciana Marinelli, Sandro Cosconati, Thomas Steinbrecher, et al.
Carbohydrate Research
|
August 13, 2015
Stereoselective synthesis and molecular modeling of chiral cyclopentanes
Raid J Abdel-Jalil, Thomas Steinbrecher, Thuraya Al-Harthy, et al.
Journal of Molecular Biology
|
December 15, 2016
Predicting the Effect of Amino Acid Single-Point Mutations on Protein Stability-Large-Scale Validation of MD-Based Relative Free Energy Calculations
Thomas Steinbrecher, Chongkai Zhu, Lingle Wang, et al.
Communications Biology
|
August 31, 2018
Predicting resistance of clinical Abl mutations to targeted kinase inhibitors using alchemical free-energy calculations
Kevin Hauser, Christopher Negron, Steven K Albanese, et al.
Biophysical Journal
|
October 16, 2012
Peptide-lipid interactions of the stress-response peptide TisB that induces bacterial persistence
Thomas Steinbrecher, Sebastian Prock, Johannes Reichert, et al.
Angewandte Chemie (International Ed. in English)
|
February 21, 2014
Controlling biological activity with light: diarylethene-containing cyclic peptidomimetics
Oleg Babii, Sergii Afonin, Marina Berditsch, et al.
Frontiers in Pharmacology
|
June 15, 2026
Pharmacology of nivegacetor (RG6289), a potent and selective gamma secretase modulator in clinical development for the treatment of Alzheimer's disease
Lothar Lindemann, Julie Lambotte, Judith Rothe, et al.
Journal of the American Chemical Society
|
January 28, 2015
Accurate and reliable prediction of relative ligand binding potency in prospective drug discovery by way of a modern free-energy calculation protocol and force field
Lingle Wang, Yujie Wu, Yuqing Deng, 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 5
Search research articles
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Showing results (31-40 of 41) with videos related to
Sort By:
Page
of 5
Journal of Computer-Aided Molecular Design
|
January 17, 2018
Validation of tautomeric and protomeric binding modes by free energy calculations. A case study for the structure based optimization of D-amino acid oxidase inhibitors
Zoltán Orgován, György G Ferenczy, Thomas Steinbrecher, et al.
Chemmedchem
|
September 13, 2007
Homology modeling of NR2B modulatory domain of NMDA receptor and analysis of ifenprodil binding
Luciana Marinelli, Sandro Cosconati, Thomas Steinbrecher, et al.
Carbohydrate Research
|
August 13, 2015
Stereoselective synthesis and molecular modeling of chiral cyclopentanes
Raid J Abdel-Jalil, Thomas Steinbrecher, Thuraya Al-Harthy, et al.
Journal of Molecular Biology
|
December 15, 2016
Predicting the Effect of Amino Acid Single-Point Mutations on Protein Stability-Large-Scale Validation of MD-Based Relative Free Energy Calculations
Thomas Steinbrecher, Chongkai Zhu, Lingle Wang, et al.
Communications Biology
|
August 31, 2018
Predicting resistance of clinical Abl mutations to targeted kinase inhibitors using alchemical free-energy calculations
Kevin Hauser, Christopher Negron, Steven K Albanese, et al.
Biophysical Journal
|
October 16, 2012
Peptide-lipid interactions of the stress-response peptide TisB that induces bacterial persistence
Thomas Steinbrecher, Sebastian Prock, Johannes Reichert, et al.
Angewandte Chemie (International Ed. in English)
|
February 21, 2014
Controlling biological activity with light: diarylethene-containing cyclic peptidomimetics
Oleg Babii, Sergii Afonin, Marina Berditsch, et al.
Frontiers in Pharmacology
|
June 15, 2026
Pharmacology of nivegacetor (RG6289), a potent and selective gamma secretase modulator in clinical development for the treatment of Alzheimer's disease
Lothar Lindemann, Julie Lambotte, Judith Rothe, et al.
Journal of the American Chemical Society
|
January 28, 2015
Accurate and reliable prediction of relative ligand binding potency in prospective drug discovery by way of a modern free-energy calculation protocol and force field
Lingle Wang, Yujie Wu, Yuqing Deng, 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.
Page
of 5