Carsten Baldauf - Publications, H-index & Citations

Carsten Baldauf

chinese academy of sciences

33H指数

106论文数

2.7K被引数

收录论文 43

发表时间

System-Specific Parameter Optimization for Nonpolarizable and Polarizable Force Fields

JOURNAL OF CHEMICAL THEORY AND COMPUTATION

IF5.5

2024-01-27

OAAI

Hu, Xiaojuan; Amin, Kazi S.; Schneider, Markus; Lim, Carmay; Salahub, Dennis; Baldauf, Carsten

Impact of anion polarizability on ion pairing in microhydrated salt clusters

CHEMICAL SCIENCE

IF7.4

2022-01-01

OAAI

Chakraborty, Arghya; Brumme, Thomas; Schmahl, Sonja; Weiske, Hendrik; Baldauf, Carsten; Asmis, Knut R.

Benchmarking polarizable and non-polarizable force fields for Ca2+-peptides against a comprehensive QM dataset

JOURNAL OF CHEMICAL PHYSICS

IF3.1

2020-10-08

OAAI

Amin, Kazi S.; Hu, Xiaojuan; Salahub, Dennis R.; Baldauf, Carsten; Lim, Carmay; Noskov, Sergei

Structure and Reactivity of Al-O(H)-Al Moieties in Siloxide Frameworks: Solution and Gas-Phase Model Studies

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

IF16.9

2018-12-17

PREAI

Lokare, Kapil Shyam; Braun-Cula, Beatrice; Limberg, Christian; Jorewitz, Marcel; Kelly, John T.; Asmis, Knut R.; Leach, Stephen; Baldauf, Carsten; Goikoetxea, Itziar; Sauer, Joachim

The Structure of the Protonated Serine Octamer

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

IF15.6

2018-04-11

OAAI

Scutelnic, Valeriu; Perez, Marta A. S.; Marianski, Mateusz; Warnke, Stephan; Gregor, Aurelien; Rothlisberger, Ursula; Bowers, Michael T.; Baldauf, Carsten; von Helden, Gert; Rizzo, Thomas R.; Seo, Jongcheol

Autoregulation of von Willebrand factor function by a disulfide bond switch

SCIENCE ADVANCES

IF12.5

2018-02-02

OAAI

Butera, Diego; Passam, Freda; Ju, Lining; Cook, Kristina M.; Woon, Heng; Aponte-Santamaria, Camilo; Gardiner, Elizabeth; Davis, Amanda K.; Murphy, Deirdre A.; Bronowska, Agnieszka; Luken, Brenda M.; Baldauf, Carsten; Jackson, Shaun; Andrews, Robert; Graeter, Frauke; Hogg, Philip J.

von Willebrand disease type 2A phenotypes IIC, IID and IIE: A day in the life of shear-stressed mutant von Willebrand factor

THROMBOSIS AND HAEMOSTASIS

IF4.3

2017-12-01

PREAI

Brehm, Maria A.; Huck, Volker; Aponte-Santamaria, Camilo; Obser, Tobias; Graessle, Sandra; Oyen, Florian; Budde, Ulrich; Schneppenheim, Sonja; Baldauf, Carsten; Graeter, Frauke; Schneider, Stefan W.; Schneppenheim, Reinhard

About Underappreciated Yet Active Conformations of Thiourea Organocatalysts (vol 19, pg 4199, 2017)

ORGANIC LETTERS

IF5

2017-09-27

PREAI

Supady, Adriana; Hecht, Stefan; Baldauf, Carsten

About Underappreciated Yet Active Conformations of Thiourea Organocatalysts

ORGANIC LETTERS

IF5

2017-08-08

OAAI

Supady, Adriana; Hecht, Stefan; Baldauf, Carsten

Mapping and classifying molecules from a high-throughput structural database

JOURNAL OF CHEMINFORMATICS

IF5.7

2017-02-02

OAAI

De, Sandip; Musil, Felix; Ingram, Teresa; Baldauf, Carsten; Ceriotti, Michele

Mutual A domain interactions in the force sensing protein von Willebrand factor

JOURNAL OF STRUCTURAL BIOLOGY

IF5.1

2017-01-01

OAAI

Posch, Sandra; Aponte-Santamaria, Camilo; Schwarzl, Richard; Karner, Andreas; Radtke, Matthias; Graeter, Frauke; Obser, Tobias; Koenig, Gesa; Brehm, Maria A.; Gruber, Hermann J.; Netz, Roland R.; Baldauf, Carsten; Schneppenheim, Reinhard; Tampe, Robert; Hinterdorfer, Peter

Mutation G1629E Increases von Willebrand Factor Cleavage via a Cooperative Destabilization Mechanism

BIOPHYSICAL JOURNAL

IF3.1

2017-01-01

OAAI

Aponte-Santamaria, Camilo; Lippok, Svenja; Mittag, Judith J.; Obser, Tobias; Schneppenheim, Reinhard; Baldauf, Carsten; Graeter, Frauke; Budde, Ulrich; Raedler, Joachim O.

Assessing the Accuracy of Across-the-Scale Methods for Predicting Carbohydrate Conformational Energies for the Examples of Glucose and α-Maltose

JOURNAL OF CHEMICAL THEORY AND COMPUTATION

IF5.5

2016-11-29

101

PREAI

Marianski, Mateusz; Supady, Adriana; Ingram, Teresa; Schneider, Markus; Baldauf, Carsten

Trends for isolated amino acids and dipeptides: Conformation, divalent ion binding, and remarkable similarity of binding to calcium and lead

SCIENTIFIC REPORTS

IF3.9

2016-11-03

OAAI

Ropo, M.; Blum, V.; Baldauf, C.

Conformations of Prolyl-Peptide Bonds in the Bradykinin 1-5 Fragment in Solution and in the Gas Phase

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

IF15.6

2016-07-18

PREAI

Voronina, Liudmila; Masson, Antoine; Kamrath, Michael; Schubert, Franziska; Clemmer, David; Baldauf, Carsten; Rizzo, Thomas R.

The SQM/COSMO filter: reliable native pose identification based on the quantum-mechanical description of protein-ligand interactions and implicit COSMO solvation

CHEMICAL COMMUNICATIONS

IF4.2

2016-01-01

OAAI

Pecina, Adam; Meier, Rene; Fanfrlik, Jindrich; Lepsik, Martin; Rezac, Jan; Hobza, Pavel; Baldauf, Carsten

Ion mobility separation of deprotonated oligosaccharide isomers - evidence for gas-phase charge migration

CHEMICAL COMMUNICATIONS

IF4.2

2016-01-01

OAAI

Struwe, W. B.; Baldauf, C.; Hofmann, J.; Rudd, P. M.; Pagel, K.

First-Principles Molecular Structure Search with a Genetic Algorithm

JOURNAL OF CHEMICAL INFORMATION AND MODELING

IF5.3

2015-11-02

OAAI

Supady, Adriana; Blum, Volker; Baldauf, Carsten

Force-Sensitive Autoinhibition of the von Willebrand Factor Is Mediated by Interdomain Interactions

BIOPHYSICAL JOURNAL

IF3.1

2015-05-01

OAAI

Aponte-Santamaria, Camilo; Huck, Volker; Posch, Sandra; Bronowska, Agnieszka K.; Graessle, Sandra; Brehm, Maria A.; Obser, Tobias; Schneppenheim, Reinhard; Hinterdorfer, Peter; Schneider, Stefan W.; Baldauf, Carsten; Graeter, Frauke

Coiled-Coils in Phage Display Screening: Insight into Exceptional Selectivity Provided by Molecular Dynamics

JOURNAL OF CHEMICAL INFORMATION AND MODELING

IF5.3

2015-02-12

PREAI

Mortier, Jeremie; Nyakatura, Elisabeth K.; Reimann, Oliver; Huhmann, Susanne; Daldrop, Jan O.; Baldauf, Carsten; Wolber, Gerhard; Miettinen, Markus S.; Koksch, Beate

研究方向