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Journal of Computer-Aided Molecular Design
|
January 16, 2008
Evaluation of the performance of 3D virtual screening protocols: RMSD comparisons, enrichment assessments, and decoy selection--what can we learn from earlier mistakes?
Johannes Kirchmair, Patrick Markt, Simona Distinto, et al.
Chemical Communications (Cambridge, England)
|
August 21, 2018
Homologation of halostannanes with carbenoids: a convenient and straightforward one-step access to α-functionalized organotin reagents
Saad Touqeer, Laura Castoldi, Thierry Langer, et al.
Journal of Chemical Theory and Computation
|
December 17, 2025
Repeatability of Relative Free Energy Calculations in Solution with ANI-2x and MACE-OFF23
Sara Tkaczyk, Thierry Langer, Marcus Wieder, et al.
Journal of Computer-Aided Molecular Design
|
October 26, 2007
Pharmacophore modeling and parallel screening for PPAR ligands
Patrick Markt, Daniela Schuster, Johannes Kirchmair, et al.
Chemical Science
|
September 29, 2023
Base-mediated homologative rearrangement of nitrogen-oxygen bonds of <i>N</i>-methyl-<i>N</i>-oxyamides
Monika Malik, Raffaele Senatore, Thierry Langer, et al.
Pharmacy (Basel, Switzerland)
|
June 29, 2018
Pharmacy Practice and Education in Austria
Thierry Langer, Helmut Spreitzer, Teresa Ditfurth, et al.
Biochemical and Biophysical Research Communications
|
January 20, 2016
Evaluating the stability of pharmacophore features using molecular dynamics simulations
Marcus Wieder, Ugo Perricone, Stefan Boresch, et al.
Angewandte Chemie (International Ed. in English)
|
September 17, 2021
Consecutive and Selective Double Methylene Insertion of Lithium Carbenoids to Isothiocyanates: A Direct Assembly of Four-Membered Sulfur-Containing Cycles
Raffaele Senatore, Monika Malik, Thierry Langer, et al.
Journal of Chemical Information and Modeling
|
August 25, 2023
High-Quality Conformer Generation with CONFORGE: Algorithm and Performance Assessment
Thomas Seidel, Christian Permann, Oliver Wieder, et al.
Journal of Chemical Information and Modeling
|
February 21, 2025
GRADE and X-GRADE: Unveiling Novel Protein-Ligand Interaction Fingerprints Based on GRAIL Scores
Christian Fellinger, Thomas Seidel, Benjamin Merget, et al.
Page
of 20
Search research articles
Search
Showing results (41-50 of 194) with videos related to
Sort By:
Page
of 20
Journal of Computer-Aided Molecular Design
|
January 16, 2008
Evaluation of the performance of 3D virtual screening protocols: RMSD comparisons, enrichment assessments, and decoy selection--what can we learn from earlier mistakes?
Johannes Kirchmair, Patrick Markt, Simona Distinto, et al.
Chemical Communications (Cambridge, England)
|
August 21, 2018
Homologation of halostannanes with carbenoids: a convenient and straightforward one-step access to α-functionalized organotin reagents
Saad Touqeer, Laura Castoldi, Thierry Langer, et al.
Journal of Chemical Theory and Computation
|
December 17, 2025
Repeatability of Relative Free Energy Calculations in Solution with ANI-2x and MACE-OFF23
Sara Tkaczyk, Thierry Langer, Marcus Wieder, et al.
Journal of Computer-Aided Molecular Design
|
October 26, 2007
Pharmacophore modeling and parallel screening for PPAR ligands
Patrick Markt, Daniela Schuster, Johannes Kirchmair, et al.
Chemical Science
|
September 29, 2023
Base-mediated homologative rearrangement of nitrogen-oxygen bonds of <i>N</i>-methyl-<i>N</i>-oxyamides
Monika Malik, Raffaele Senatore, Thierry Langer, et al.
Pharmacy (Basel, Switzerland)
|
June 29, 2018
Pharmacy Practice and Education in Austria
Thierry Langer, Helmut Spreitzer, Teresa Ditfurth, et al.
Biochemical and Biophysical Research Communications
|
January 20, 2016
Evaluating the stability of pharmacophore features using molecular dynamics simulations
Marcus Wieder, Ugo Perricone, Stefan Boresch, et al.
Angewandte Chemie (International Ed. in English)
|
September 17, 2021
Consecutive and Selective Double Methylene Insertion of Lithium Carbenoids to Isothiocyanates: A Direct Assembly of Four-Membered Sulfur-Containing Cycles
Raffaele Senatore, Monika Malik, Thierry Langer, et al.
Journal of Chemical Information and Modeling
|
August 25, 2023
High-Quality Conformer Generation with CONFORGE: Algorithm and Performance Assessment
Thomas Seidel, Christian Permann, Oliver Wieder, et al.
Journal of Chemical Information and Modeling
|
February 21, 2025
GRADE and X-GRADE: Unveiling Novel Protein-Ligand Interaction Fingerprints Based on GRAIL Scores
Christian Fellinger, Thomas Seidel, Benjamin Merget, et al.
Page
of 20