David M Smith

ResearcherID ORCID

Publication Activity (10 Years)

Years Active: 2018-2023
Publications (10 Years): 10

Top Topics

Electron Transfer

Molecular Dynamics Simulations

Top Venues

The journal of physical chemistry. B

The journal of physical chemistry. A

Angewandte Chemie (International ed. in English)

Rapid communications in mass spectrometry : RCM

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

Publications

Mattia Livraghi, Sampanna Pahi, Piotr Nowakowski, David M Smith, Christian R Wick, Ana-Sunc Ana Smith
Block Chemistry for Accurate Modeling of Epoxy Resins. The journal of physical chemistry. B (2023)
Andreas Baer, Simon E Wawra, Kristina Bielmeier, Maximilian J Uttinger, David M Smith, Wolfgang Peukert, Johannes Walter, Ana-Sunc Ana Smith
The Stokes-Einstein-Sutherland Equation at the Nanoscale Revisited. Small (Weinheim an der Bergstrasse, Germany) (2023)
Mattia Livraghi, Kevin Höllring, Christian R Wick, David M Smith, Ana-Sunc Ana Smith
An Exact Algorithm to Detect the Percolation Transition in Molecular Dynamics Simulations of Cross-Linking Polymer Networks. Journal of chemical theory and computation 17 (10) (2021)
Luka Bilić, Danijela Barić, Radha Dilip Banhatti, David M Smith, Borislav Kovačević
Computational Study of Glycerol Binding within the Active Site of Coenzyme B12-Dependent Diol Dehydratase. The journal of physical chemistry. B 123 (29) (2019)
Marko Hanževački, Radha Dilip Banhatti, Karmen Čondić-Jurkić, Ana-Sunčana Smith, David M Smith
Exploring Reactive Conformations of Coenzyme A during Binding and Unbinding to Pyruvate Formate-Lyase. The journal of physical chemistry. A 123 (43) (2019)
Marko Hanževački, Karmen Čondić-Jurkić, Radha Dilip Banhatti, Ana-Sunc Ana Smith, David M Smith
The Influence of Chemical Change on Protein Dynamics: A Case Study with Pyruvate Formate-Lyase. Chemistry (Weinheim an der Bergstrasse, Germany) 25 (37) (2019)
Darko Babić, Saša Kazazić, David M Smith
Resolution of protein hydrogen/deuterium exchange by fitting amide exchange probabilities to the peptide isotopic envelopes. Rapid communications in mass spectrometry : RCM 33 (15) (2019)
Borislav Kovačević, Danijela Barić, Darko Babić, Luka Bilić, Marko Hanževački, Gregory M Sandala, Leo Radom, David M Smith
Computational Tale of Two Enzymes: Glycerol Dehydration With or Without B12. Journal of the American Chemical Society 140 (27) (2018)
Robert Stepić, Christian R Wick, Vinzent Strobel, Daniel Berger, Nataša Vučemilović-Alagić, Marco Haumann, Peter Wasserscheid, Ana-Sunčana Smith, David M Smith
Mechanism of the Water-Gas Shift Reaction Catalyzed by Efficient Ruthenium-Based Catalysts: A Computational and Experimental Study. Angewandte Chemie (International ed. in English) 58 (3) (2018)
Christian R Wick, David M Smith
Modeling the Reactions Catalyzed by Coenzyme B12 Dependent Enzymes: Accuracy and Cost-Quality Balance. The journal of physical chemistry. A 122 (6) (2018)