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2025
Theoretical conformational analysis of cross-linking bonds in fungal hydrophobin from Aspergillus fumigatus
Journal of Biomolecular Structure and Dynamics
2025
Sam-Sam Association Between EphA2 and SASH1: In Silico Studies of Cancer-Linked Mutations
Molecules
2024
Exploring the ability of the MD+FoldX method to predict SARS-CoV-2 antibody escape mutations using large-scale data
Scientific Reports
2024
Atomistic simulations reveal impacts of missense mutations on the structure and function of SynGAP1
Briefings in Bioinformatics
2024
Filoviridae: insights into immune responses to Ebola virus
Exploration of Immunology
2024
Exploring a Potential Optimization Route for Peptide Ligands of the Sam Domain from the Lipid Phosphatase Ship2
International Journal of Molecular Sciences
2023
Predicting binding affinity changes from long‐distance mutations using molecular dynamics simulations and Rosetta
Proteins: Structure, Function, and Bioinformatics
2023
Statistical modeling to quantify the uncertainty of FoldX-predicted protein folding and binding stability
BMC Bioinformatics
2023
Structure of the Inmazeb cocktail and resistance to Ebola virus escape
Cell Host & Microbe
2022
The mutation effect reaction norm (mu‐rn) highlights environmentally dependent mutation effects and epistatic interactions
Evolution
2022
Molecular Modeling Predicts Novel Antibody Escape Mutations in the Respiratory Syncytial Virus Fusion Glycoprotein
Journal of Virology
2022
Tracking ebolavirus genomic drift with a resequencing microarray
PLOS ONE
2022
Defining the HIV Capsid Binding Site of Nucleoporin 153
mSphere
2022
The effect of mutations on binding interactions between the SARS-CoV-2 receptor binding domain and neutralizing antibodies B38 and CB6
Scientific Reports
2021
Implementing and Assessing an Alchemical Method for Calculating Protein–Protein Binding Free Energy
Journal of Chemical Theory and Computation
2021
Potential neutralizing antibodies discovered for novel corona virus using machine learning
Scientific Reports
2021
Cysteine Mutations in the Ebolavirus Matrix Protein VP40 Promote Phosphatidylserine Binding by Increasing the Flexibility of a Lipid-Binding Loop
Viruses
2021
EfgA is a conserved formaldehyde sensor that leads to bacterial growth arrest in response to elevated formaldehyde
PLOS Biology
2020
Implementation of adaptive integration method for free energy calculations in molecular systems
PeerJ Computer Science
2020
Predicting the viability of beta-lactamase: How folding and binding free energies correlate with beta-lactamase fitness
PLOS ONE
2020
Assessment of software methods for estimating protein-protein relative binding affinities
PLOS ONE
2020
Viral genomics in Ebola virus research
Nature Reviews Microbiology
2020
Remdesivir targets a structurally analogous region of the Ebola virus and SARS-CoV-2 polymerases
Proceedings of the National Academy of Sciences
2019
Expanding the watch list for potential Ebola virus antibody escape mutations
PLOS ONE
2018
Fast Calculation of Protein–Protein Binding Free Energies Using Umbrella Sampling with a Coarse-Grained Model
Journal of Chemical Theory and Computation
2018
In Vivo Delivery of Synthetic Human DNA-Encoded Monoclonal Antibodies Protect against Ebolavirus Infection in a Mouse Model
Cell Reports
2017
Adaptive Mutations in RNA Polymerase and the Transcriptional Terminator Rho Have Similar Effects on Escherichia coli Gene Expression
Molecular Biology and Evolution
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