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Journal of Medicinal Chemistry|May 15, 2024
Nonclassical Zwitterions as a Design Principle to Reduce Lipophilicity without Impacting PermeabilityHenrik Möbitz, Birger Dittrich, Stephane Rodde, et al.Chemmedchem|November 21, 2023
Design Principles for Balancing Lipophilicity and Permeability in beyond Rule of 5 SpaceHenrik MöbitzActa Crystallographica Section B, Structural Science, Crystal Engineering and Materials|June 3, 2017
Is there a future for topological analysis in experimental charge-density research?Birger DittrichBiochemistry|February 6, 2002
A Birch-like mechanism in enzymatic benzoyl-CoA reduction: a kinetic study of substrate analogues combined with an ab initio modelHenrik Möbitz, Matthias BollBiochemistry|July 28, 2004
Multiple substrate binding states and chiral recognition in cofactor-independent glutamate racemase: a molecular dynamics studyHenrik Möbitz, Thomas C BruiceActa Crystallographica. Section A, Foundations of Crystallography|April 19, 2008
X-ray structure refinement using aspherical atomic density functions obtained from quantum-mechanical calculationsDylan Jayatilaka, Birger DittrichJournal of Chemical Information and Modeling|July 21, 2017
Developing Collaborative QSAR Models Without Sharing StructuresPeter Gedeck, Suzanne Skolnik, Stephane RoddeJournal of Computer-Aided Molecular Design|August 18, 2020
ReSCoSS: a flexible quantum chemistry workflow identifying relevant solution conformers of drug-like moleculesAnikó Udvarhelyi, Stephane Rodde, Rainer WilckenPageof 15