Last Updated: 09/26/2026
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Found 37 publications
Replica Exchange Molecular Dynamics with Hydrogen Mass Repartitioning Improves Sampling of Peptide Binding to a Lipid Bilayer.
Journal: Journal of chemical theory and computation
Published: May 29, 2026
Accelerating Replica Exchange Molecular Dynamics: A Comparison of Hydrogen Mass Repartitioning and Light Water Models.
Journal: Journal of chemical theory and computation
Published: January 09, 2026
Free Energy Perturbation Simulations Measure the Change in Binding Affinity of the Aβ25-35 Peptide to the Zwitterionic Bilayer Caused by Oxidation.
Journal: Journal of chemical information and modeling
Published: October 22, 2025
Binding of Antimicrobial Peptide Indolicidin to DMPC Bilayer Using Replica-Exchange Molecular Dynamics.
Journal: Journal of chemical information and modeling
Published: August 21, 2025
Combining Molecular Dynamics and Machine Learning to Predict Drug Resistance Causing Variants of BRAF in Colorectal Cancer.
Journal: Molecules (Basel, Switzerland)
Published: July 18, 2025
Ligands binding diffusively to protein target act as inhibitors of protein-protein interactions.
Journal: PLoS computational biology
Published: May 09, 2025
Applying Absolute Free Energy Perturbation Molecular Dynamics to Diffusively Binding Ligands.
Journal: Journal of chemical theory and computation
Published: April 07, 2025
CD34 serves as an intrinsic innate immune guardrail protecting stem cells from replicating retroviruses.
Journal: bioRxiv : the preprint server for biology
Published: April 01, 2025
PSGL-1 excludes HIV Env from virion surface through spatial hindrance involving structural folding of the decameric repeats (DR).
Journal: bioRxiv : the preprint server for biology
Published: January 07, 2025
Proteomics in Acute Heart Transplant Rejection, on Behalf of the GRAfT Investigators.
Journal: Transplantation
Published: December 04, 2024
Structural Analysis of Amylin and Amyloid β Peptide Signaling in Alzheimer's Disease.
Journal: Biomolecules
Published: October 01, 2024
Last Updated: 09/26/2026