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Influence of Linker Flexibility on the Binding Affinity of Bidentate Binders
American Chemical Society | 2017| -
Assessing the capability of in silico mutation protocols for predicting the finite temperature conformation of amino acids
Royal Society of Chemistry | 2018| -
Steric confinement and enhanced local flexibility assist knotting in simple models of protein folding
National licenceRoyal Society of Chemistry | 2016| -
PARCE: Protocol for Amino acid Refinement through Computational Evolution
Free accessArXiv | 2020| -
Effects of knot type in the folding of topologically complex lattice proteins
American Institute of Physics | 2014| -
Enhanced Molecular Dynamics Method to Efficiently Increase the Discrimination Capability of Computational Protein–Protein Docking
Free accessAmerican Chemical Society | 2021| -
Binding affinity prediction of nanobody–protein complexes by scoring of molecular dynamics trajectories
Royal Society of Chemistry | 2018| -
Understanding the connection between conformational changes of peptides and equilibrium thermal fluctuations
Royal Society of Chemistry | 2017| -
Description of conformational ensembles of disordered proteins by residue-local probabilities
Royal Society of Chemistry | 2023| -
Analysis of State-Specific Vibrations Coupled to the Unidirectional Energy Transfer in Conjugated Dendrimers
American Chemical Society | 2012| -
Signature of Nonadiabatic Coupling in Excited-State Vibrational Modes
American Chemical Society | 2014| -
Hybrid Quantum/Classical Simulations of the Vibrational Relaxation of the Amide I Mode of N-Methylacetamide in D2O Solution
American Chemical Society | 2012| -
Tuning Local Hydration Enables a Deeper Understanding of Protein–Ligand Binding: The PP1-Src Kinase Case
American Chemical Society | 2021| -
A consensus protocol for the in silico optimisation of antibody fragments
Royal Society of Chemistry | 2019|
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