Carlos Simmerling

31PUBLICATIONS
150CO-AUTHORS
Formal methods for softwareBiomolecular modelling and designProteomics and intermolecular interactions (excl. medical proteomics)Structure and dynamics of materialsEmergency medicine
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Publications (31)

|Jul 29, 2025
Recent Developments in Amber Biomolecular Simulations.

David A Case, David S Cerutti, Vinícius Wilian D Cruzeiro

|Mar 21, 2025
A Reflection on the Use of Molecular Simulation to Respond to SARS-CoV-2 Pandemic Threats.

Lorenzo Casalino, Carlos A Ramos-Guzmán, Rommie E Amaro

|Aug 16, 2024
phosaa14SB and phosaa19SB: Updated Amber Force Field Parameters for Phosphorylated Amino Acids.

Lauren E Raguette, Abbigayle E Cuomo, Kellon A A Belfon

|Aug 07, 2024
Adjusting the Energy Profile for CH-O Interactions Leads to Improved Stability of RNA Stem-Loop Structures in MD Simulations.

Lauren E Raguette, Sarah S Gunasekera, Rebeca I Diaz Ventura

|Jul 27, 2024
Assessing pH-Dependent Conformational Changes in the Fusion Peptide Proximal Region of the SARS-CoV-2 Spike Glycoprotein.

Darya Stepanenko, Yuzhang Wang, Carlos Simmerling

|Jul 13, 2024
Accurately Modeling RNA Stem-Loops in an Implicit Solvent Environment.

Jason T Linzer, Ethan Aminov, Aalim S Abdullah

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Frequent Collaborators

4 joint publications

Maria C Nagan

3 joint publications

Tai-Sung Lee

3 joint publications

Ken Dill

3 joint publications

Rommie E Amaro