Carsten Baldauf

Scopus Author ID Loop profile ORCID

Publication Activity (10 Years)

Years Active: 2017-2024
Publications (10 Years): 12

Top Topics

Molecular Dynamics Simulations

Single Molecule

Preterm Infants

Top Venues

Journal of chemical theory and computation

Organic letters

Scientific data

Science advances

This page only lists publications with an associated author ORCID identifier.

Publications

Xiaojuan Hu, Kazi S Amin, Markus Schneider, Carmay Lim, Dennis Salahub, Carsten Baldauf
System-Specific Parameter Optimization for Nonpolarizable and Polarizable Force Fields. Journal of chemical theory and computation (2024)
Xiaojuan Hu, Kazi S Amin, Markus Schneider, Carmay Lim, Dennis Salahub, Carsten Baldauf
System-Specific Parameter Optimization for Nonpolarizable and Polarizable Force Fields. Journal of chemical theory and computation 20 (3) (2024)
Xiaojuan Hu, Kazi S Amin, Markus Schneider, Carmay Lim, Dennis Salahub, Carsten Baldauf
System-Specific Parameter Optimization for Nonpolarizable and Polarizable Force Fields. Journal of chemical theory and computation 20 (3) (2024)
Xiaojuan Hu, Kazi S Amin, Markus Schneider, Carmay Lim, Dennis Salahub, Carsten Baldauf
System-Specific Parameter Optimization for Nonpolarizable and Polarizable Force Fields. Journal of chemical theory and computation 20 (3) (2024)
Luca M Ghiringhelli, Carsten Baldauf, Tristan Bereau, Sandor Brockhauser, Christian Carbogno, Javad Chamanara, Stefano Cozzini, Stefano Curtarolo, Claudia Draxl, Shyam S Dwaraknath, Ádám Fekete, James Kermode, Christoph T Koch, Markus Kühbach, Alvin Noe Ladines, Patrick Lambrix, Maja-Olivia Himmer, Sergey V Levchenko, Micael Oliveira, Adam Michalchuk, Ronald E Miller, Berk Onat, Pasquale Pavone, Giovanni Pizzi, Benjamin Regler, Gian Marco Rignanese, Jörg J Schaarschmidt, Markus Scheidgen, Astrid Schneidewind, Tatyana Sheveleva, Chuanxun Su, Denis Usvyat, Omar Valsson, Christof Wöll, Matthias Scheffler
Shared metadata for data-centric materials science. Scientific data 10 (1) (2023)
Xiaojuan Hu, Maja-Olivia Lenz-Himmer, Carsten Baldauf
Better force fields start with better data: A data set of cation dipeptide interactions. Scientific data 9 (1) (2022)
Kazi S Amin, Xiaojuan Hu, Dennis R Salahub, Carsten Baldauf, Carmay Lim, Sergei Yu Noskov
Benchmarking polarizable and non-polarizable force fields for Ca2+-peptides against a comprehensive QM dataset. The Journal of chemical physics 153 (14) (2021)
Valeriu Scutelnic, Marta A S Perez, Mateusz Marianski, Stephan Warnke, Aurelien Gregor, Ursula Röthlisberger, Michael T Bowers, Carsten Baldauf, Gert von Helden, Thomas R Rizzo, Jongcheol Seo
The Structure of the Protonated Serine Octamer. Journal of the American Chemical Society 140 (24) (2018)
Diego Butera, Freda H Passam, Lining Arnold Arnold Ju, Kristina M Cook, Heng Woon, Camilo Aponte-Santamaría, Elizabeth E Gardiner, Amanda K Davis, Deirdre A Murphy, Agnieszka K Bronowska, Brenda M Luken, Carsten Baldauf, Shaun P Jackson, Robert Andrews, Frauke Gräter, Philip J Hogg
Autoregulation of von Willebrand factor function by a disulfide bond switch. Science advances 4 (2) (2018)
Adriana Supady, Stefan Hecht, Carsten Baldauf
About Underappreciated Yet Active Conformations of Thiourea Organocatalysts. Organic letters 19 (16) (2017)
Markus Schneider, Chiara Masellis, Thomas R Rizzo, Carsten Baldauf
Kinetically Trapped Liquid-State Conformers of a Sodiated Model Peptide Observed in the Gas Phase. The journal of physical chemistry. A 121 (36) (2017)
Adriana Supady, Stefan Hecht, Carsten Baldauf
Correction to About Underappreciated Yet Active Conformations of Thiourea Organocatalysts. Organic letters 19 (19) (2017)