Tim Knehans

Affiliations

Merck KGaA, Frankfurter Strasse 250, 64293 Darmstadt, Germany.

Publications (7)

Large-Scale Assessment of Binding Free Energy Calculations in Active Drug Discovery Projects.

Journal of chemical information and modeling

Avec: Christina E M Schindler , Hannah Baumann , Andreas Blum , Dietrich Böse , Hans-Peter Buchstaller , Lars Burgdorf , Daniel Cappel , Eugene Chekler , Paul Czodrowski , Dieter Dorsch , Merveille K I Eguida , Bruce Follows , Thomas Fuchß , Ulrich Grädler , Jakub Gunera , Theresa Johnson , Catherine Jorand Lebrun , Srinivasa Karra , Markus Klein , Tim Knehans , Lisa Koetzner , Mireille Krier , Matthias Leiendecker , Birgitta Leuthner , Liwei Li , Igor Mochalkin , Djordje Musil , Constantin Neagu , Friedrich Rippmann , Kai Schiemann , Robert Schulz , Thomas Steinbrecher , Eva-Maria Tanzer , Andrea Unzue Lopez , Ariele Viacava Follis , Ansgar Wegener , Daniel Kuhn

An ABSINTH-Based Protocol for Predicting Binding Affinities between Proteins and Small Molecules.

Journal of chemical information and modeling

Avec: Jean-Rémy Marchand , Tim Knehans , Amedeo Caflisch , Andreas Vitalis

Chromosomal organization of biosynthetic gene clusters, including those of nine novel species, suggests plasticity of myxobacterial specialized metabolism.

Frontiers in microbiology

Avec: Andrew Ahearne , Kayleigh E Phillips , Thomas Knehans , Miranda Hoing , Scot E Dowd , David Cole Stevens

Site-Specific Conjugation of Native Antibodies Using Engineered Microbial Transglutaminases.

Bioconjugate chemistry

Avec: Stephan Dickgiesser , Marcel Rieker , Dirk Mueller-Pompalla , Christian Schröter , Jason Tonillo , Shira Warszawski , Sabine Raab-Westphal , Stefanie Kühn , Tim Knehans , Doreen Könning , Julia Dotterweich , Ulrich A K Betz , Jan Anderl , Stefan Hecht , Nicolas Rasche

Chromosomal organization of biosynthetic gene clusters suggests plasticity of myxobacterial specialized metabolism including descriptions for nine novel species:

bioRxiv : the preprint server for biology

Avec: Andrew Ahearne , Kayleigh Phillips , Thomas Knehans , Miranda Hoing , Scot E Dowd , D Cole Stevens

Discovery of Cycloalkyl[

Journal of medicinal chemistry

Avec: Hans-Peter Buchstaller , Ada Sala-Hojman , Matthias Leiendecker , Joachim Albers , Uwe Anlauf , Nina Berges , Liming Dong , Thomas Fuchß , Martina Germann , Tim Knehans , Mireille Krier , Marc Lecomte , Daniel Müller , Sandra R Müller , Birgitta Leuthner , Ralph Lindemann , Djordje Musil , Mateusz Nowak , Vivian Reither , Corinna Rettig , Christina E M Schindler , Urszula Pakulska , Dieter Spuck , Ansgar Wegener , Adrian Zarębski

Exploiting high-energy hydration sites for the discovery of potent peptide aldehyde inhibitors of the SARS-CoV-2 main protease with cellular antiviral activity.

Bioorganic & medicinal chemistry

Avec: Daniel W Carney , Abba E Leffler , Jeffrey A Bell , Asela S Chandrasinghe , Cecilia Cheng , Edcon Chang , Adam Dornford , Douglas R Dougan , Leah L Frye , Mary E Grimes , Tim Knehans , Jennifer L Knight , Mallareddy Komandla , Weston Lane , Hubert Li , Sophia R Newman , Katalin Phimister , Kumar S Saikatendu , Hercules Silverstein , Shaghayegh Vafaei

Réseau de co-auteurs

Christina E M Schindler 2 collaborations

Hans-Peter Buchstaller 2 collaborations

Thomas Fuchß 2 collaborations

Mireille Krier 2 collaborations

Matthias Leiendecker 2 collaborations

Birgitta Leuthner 2 collaborations

Djordje Musil 2 collaborations

Ansgar Wegener 2 collaborations

Andrew Ahearne 2 collaborations

Thomas Knehans 2 collaborations

Miranda Hoing 2 collaborations

Scot E Dowd 2 collaborations

Hannah Baumann 1 collaboration

Andreas Blum 1 collaboration

Dietrich Böse 1 collaboration

Lars Burgdorf 1 collaboration

Daniel Cappel 1 collaboration

Eugene Chekler 1 collaboration

Paul Czodrowski 1 collaboration

Dieter Dorsch 1 collaboration

Merveille K I Eguida 1 collaboration

Bruce Follows 1 collaboration

Ulrich Grädler 1 collaboration

Jakub Gunera 1 collaboration

Theresa Johnson 1 collaboration

Catherine Jorand Lebrun 1 collaboration

Srinivasa Karra 1 collaboration

Markus Klein 1 collaboration

Lisa Koetzner 1 collaboration

Liwei Li 1 collaboration

Igor Mochalkin 1 collaboration

Constantin Neagu 1 collaboration

Friedrich Rippmann 1 collaboration

Kai Schiemann 1 collaboration

Robert Schulz 1 collaboration

Thomas Steinbrecher 1 collaboration

Eva-Maria Tanzer 1 collaboration

Andrea Unzue Lopez 1 collaboration

Ariele Viacava Follis 1 collaboration

Daniel Kuhn 1 collaboration

Jean-Rémy Marchand 1 collaboration

Amedeo Caflisch 1 collaboration

Andreas Vitalis 1 collaboration

Kayleigh E Phillips 1 collaboration

David Cole Stevens 1 collaboration

Stephan Dickgiesser 1 collaboration

Marcel Rieker 1 collaboration

Dirk Mueller-Pompalla 1 collaboration

Christian Schröter 1 collaboration

Jason Tonillo 1 collaboration

Shira Warszawski 1 collaboration

Sabine Raab-Westphal 1 collaboration

Stefanie Kühn 1 collaboration

Doreen Könning 1 collaboration

Julia Dotterweich 1 collaboration

Ulrich A K Betz 1 collaboration

Jan Anderl 1 collaboration

Stefan Hecht 1 collaboration

Nicolas Rasche 1 collaboration

Kayleigh Phillips 1 collaboration

D Cole Stevens 1 collaboration

Ada Sala-Hojman 1 collaboration

Joachim Albers 1 collaboration

Uwe Anlauf 1 collaboration

Nina Berges 1 collaboration

Liming Dong 1 collaboration

Martina Germann 1 collaboration

Marc Lecomte 1 collaboration

Daniel Müller 1 collaboration

Sandra R Müller 1 collaboration

Ralph Lindemann 1 collaboration

Mateusz Nowak 1 collaboration

Vivian Reither 1 collaboration

Corinna Rettig 1 collaboration

Urszula Pakulska 1 collaboration

Dieter Spuck 1 collaboration

Adrian Zarębski 1 collaboration

Daniel W Carney 1 collaboration

Abba E Leffler 1 collaboration

Jeffrey A Bell 1 collaboration

Asela S Chandrasinghe 1 collaboration

Cecilia Cheng 1 collaboration

Edcon Chang 1 collaboration

Adam Dornford 1 collaboration

Douglas R Dougan 1 collaboration

Leah L Frye 1 collaboration

Mary E Grimes 1 collaboration

Jennifer L Knight 1 collaboration

Mallareddy Komandla 1 collaboration

Weston Lane 1 collaboration

Hubert Li 1 collaboration

Sophia R Newman 1 collaboration

Katalin Phimister 1 collaboration

Kumar S Saikatendu 1 collaboration

Hercules Silverstein 1 collaboration

Shaghayegh Vafaei 1 collaboration