Roberto D. Lins

13 papers Journal 9Unranked 4
YearRankTypeTitle / Venue / Authors
2025 J jnl
Design of nanobody targeting SARS-CoV-2 spike glycoprotein using CDR-grafting assisted by molecular simulation and machine learning.
PLoS Comput. Biol.
Matheus Vitor Ferreira Ferraz, W. Camilla S. Adan, Tayná E. Lima, Adriele J. C. Santos, Sérgio O. de Paula, Rafael Dhalia, Gabriel da Luz Wallau, Rebecca C. Wade, Isabelle F. T. Viana, Roberto D. Lins
2025 J jnl
Estimating Absolute Protein-Protein Binding Free Energies by a Super Learner Model.
J. Chem. Inf. Model.
Elton José Ferreira Chaves, João Sartori, Whendel M. Santos, Carlos H. B. Cruz, Emmanuel N. Mhrous, Manassés F. Nacimento-Filho, Matheus Vitor Ferreira Ferraz, Roberto D. Lins
2020 J jnl
Rotational Profiler: A Fast, Automated, and Interactive Server to Derive Torsional Dihedral Potentials for Classical Molecular Simulations.
J. Chem. Inf. Model.
Victor H. Rusu, Denys E. S. Santos, Marcelo Depólo Polêto, Marcelo Galheigo, Antônio Tadeu A. Gomes, Hugo Verli, Thereza A. Soares, Roberto D. Lins
2020 J jnl
SuAVE: A Tool for Analyzing Curvature-Dependent Properties in Chemical Interfaces.
J. Chem. Inf. Model.
Denys E. S. Santos, Frederico J. S. Pontes, Roberto D. Lins, Kaline Coutinho, Thereza A. Soares
2020 — conf
Unraveling the Role of Nanobodies Tetrad on Their Folding and Stability Assisted by Machine and Deep Learning Algorithms.
BSB
Matheus Vitor Ferreira Ferraz, Wenny Camilla dos Santos Adan, Roberto D. Lins
2017 J jnl
Polymyxin Binding to the Bacterial Outer Membrane Reveals Cation Displacement and Increasing Membrane Curvature in Susceptible but Not in Resistant Lipopolysaccharide Chemotypes.
J. Chem. Inf. Model.
Denys E. S. Santos, Laercio Pol-Fachin, Roberto D. Lins, Thereza A. Soares
2014 J jnl
Extension and validation of the GROMOS 53A6
J. Comput. Chem.
Laercio Pol-Fachin, Hugo Verli, Roberto D. Lins
2013 J jnl
IMSPeptider: A computational peptide collision cross-section area calculator based on a novel molecular dynamics simulation protocol.
J. Comput. Chem.
Ranieri V. de Carvalho, Daniel Lopez-Ferrer, Katia S. Guimarães, Roberto D. Lins
2013 — conf
Influence of Scaffold Stability and Electrostatics on Top7-Based Engineered Helical HIV-1 Epitopes.
BSB
Isabelle F. T. Viana, Rafael Dhalia, Marco A. Krieger, Ernesto T. A. Marques Jr., Roberto D. Lins
2008 — conf
Molecular Models to Emulate Confinement Effects on the Internal Dynamics of Organophosphorous Hydrolase.
BSB
Diego Enry Barreto Gomes, Roberto D. Lins, Pedro Geraldo Pascutti, Tjerk P. Straatsma, Thereza A. Soares
2008 — conf
Northwest Trajectory Analysis Capability: A Platform for Enhancing Biophysics Analysis.
BIOCOMP
Elena S. Peterson, Eric G. Stephan, Abbie Corrigan, Roberto D. Lins, Thereza A. Soares, Randy Scarberry, Stuart Rose, Leigh Williams, Canhai Lai, Terence Critchlow, Tjerk P. Straatsma
2005 J jnl
A new GROMOS force field for hexopyranose-based carbohydrates.
J. Comput. Chem.
Roberto D. Lins, Philippe H. Hünenberger
2005 J jnl
An improved nucleic acid parameter set for the GROMOS force field.
J. Comput. Chem.
Thereza A. Soares, Philippe H. Hünenberger, Mika A. Kastenholz, Vincent Kräutler, Thomas Lenz, Roberto D. Lins, Chris Oostenbrink, Wilfred F. van Gunsteren