Diogo Vicosa-Vila

Lisbon, 1749016, Portugal

Last Updated: 09/26/2026

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Found 32 publications

Increasing the Realism of in Silico pHLIP Peptide Models with a Novel pH Gradient CpHMD Method.

Increasing the Realism of in Silico pHLIP Peptide Models with a Novel pH Gradient CpHMD Method.

Journal: Journal of chemical theory and computation
Published: October 18, 2022

Optimization of an in Silico Protocol Using Probe Permeabilities to Identify Membrane Pan-Assay Interference Compounds.

Optimization of an in Silico Protocol Using Probe Permeabilities to Identify Membrane Pan-Assay Interference Compounds.

Journal: Journal of chemical information and modeling
Published: June 13, 2022

Smartphone-Based Body Location-Independent Functional Mobility Analysis in Patients with Parkinson's Disease: A Step towards Precise Medicine.

Smartphone-Based Body Location-Independent Functional Mobility Analysis in Patients with Parkinson's Disease: A Step towards Precise Medicine.

Journal: Journal of personalized medicine
Published: April 22, 2022

Identification of Pan-Assay INterference compoundS (PAINS) Using an MD-Based Protocol.

Identification of Pan-Assay INterference compoundS (PAINS) Using an MD-Based Protocol.

Journal: Methods in molecular biology (Clifton, N.J.)
Published: July 24, 2021

Improved Protocol to Tackle the pH Effects on Membrane-Inserting Peptides.

Improved Protocol to Tackle the pH Effects on Membrane-Inserting Peptides.

Journal: Journal of chemical theory and computation
Published: June 11, 2021

Feasibility of a Mobile-Based System for Unsupervised Monitoring in Parkinson's Disease.

Feasibility of a Mobile-Based System for Unsupervised Monitoring in Parkinson's Disease.

Journal: Sensors (Basel, Switzerland)
Published: May 19, 2021

Unsupervised Walking Activity Assessment Reveals COVID-19 Impact on Parkinson's Disease Patients.

Unsupervised Walking Activity Assessment Reveals COVID-19 Impact on Parkinson's Disease Patients.

Journal: Movement disorders : official journal of the Movement Disorder Society
Published: November 18, 2020

PypKa: A Flexible Python Module for Poisson-Boltzmann-Based pKa Calculations.

PypKa: A Flexible Python Module for Poisson-Boltzmann-Based pKa Calculations.

Journal: Journal of chemical information and modeling
Published: August 29, 2020

The Early Phase of β2m Aggregation: An Integrative Computational Study Framed on the D76N Mutant and the ΔN6 Variant.

The Early Phase of β2m Aggregation: An Integrative Computational Study Framed on the D76N Mutant and the ΔN6 Variant.

Journal: Biomolecules
Published: July 27, 2019

Tackling Halogenated Species with PBSA: Effect of Emulating the σ-Hole.

Tackling Halogenated Species with PBSA: Effect of Emulating the σ-Hole.

Journal: Journal of chemical theory and computation
Published: May 31, 2019

Halogen bonding in halocarbon-protein complexes and computational tools for rational drug design.

Halogen bonding in halocarbon-protein complexes and computational tools for rational drug design.

Journal: Expert opinion on drug discovery
Published: May 28, 2019

A pH Replica Exchange Scheme in the Stochastic Titration Constant-pH MD Method.

A pH Replica Exchange Scheme in the Stochastic Titration Constant-pH MD Method.

Journal: Journal of chemical theory and computation
Published: March 26, 2019
Showing 1-12 of 32

Last Updated: 09/26/2026