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Miguel A. Soler
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AMPA receptor GluA2 subunit defects are a cause of neurodevelopmental disorders
V Salpietro, CL Dixon, H Guo, OD Bello, J Vandrovcova, S Efthymiou, ...
Nature communications 10 (1), 3094, 2019
1842019
Multiplexed discrimination of single amino acid residues in polypeptides in a single SERS hot spot
JA Huang, MZ Mousavi, G Giovannini, Y Zhao, A Hubarevich, MA Soler, ...
Angewandte Chemie International Edition 59 (28), 11423-11431, 2020
892020
Analysis of state-specific vibrations coupled to the unidirectional energy transfer in conjugated dendrimers
MA Soler, AE Roitberg, T Nelson, S Tretiak, S Fernandez-Alberti
The Journal of Physical Chemistry A 116 (40), 9802-9810, 2012
602012
Effects of knots on protein folding properties
MA Soler, PFN Faisca
PloS one 8 (9), e74755, 2013
472013
Effects of knot type in the folding of topologically complex lattice proteins
MA Soler, A Nunes, PFN Faísca
The Journal of chemical physics 141 (2), 2014
412014
Distance-based configurational entropy of proteins from molecular dynamics simulations
F Fogolari, A Corazza, S Fortuna, MA Soler, B VanSchouwen, ...
PLoS One 10 (7), e0132356, 2015
402015
Instantaneous normal modes, resonances, and decay channels in the vibrational relaxation of the amide I mode of N-methylacetamide-D in liquid deuterated water
A Bastida, MA Soler, J Zúñiga, A Requena, A Kalstein, ...
The Journal of chemical physics 132 (22), 2010
392010
Binding affinity prediction of nanobody–protein complexes by scoring of molecular dynamics trajectories
MA Soler, S Fortuna, A De Marco, A Laio
Physical Chemistry Chemical Physics 20 (5), 3438-3444, 2018
382018
A consensus protocol for the in silico optimisation of antibody fragments
MA Soler, B Medagli, MS Semrau, P Storici, G Bajc, A De Marco, A Laio, ...
Chemical Communications 55 (93), 14043-14046, 2019
342019
Steric confinement and enhanced local flexibility assist knotting in simple models of protein folding
MA Soler, A Rey, PFN Faísca
Physical Chemistry Chemical Physics 18 (38), 26391-26403, 2016
322016
Molecular dynamics simulations and docking enable to explore the biophysical factors controlling the yields of engineered nanobodies
MA Soler, A De Marco, S Fortuna
Scientific reports 6 (1), 34869, 2016
312016
Signature of nonadiabatic coupling in excited-state vibrational modes
MA Soler, T Nelson, AE Roitberg, S Tretiak, S Fernandez-Alberti
The Journal of Physical Chemistry A 118 (45), 10372-10379, 2014
282014
Hybrid Quantum/Classical Simulations of the Vibrational Relaxation of the Amide I Mode of N-Methylacetamide in D2O Solution
A Bastida, MA Soler, J Zúñiga, A Requena, A Kalstein, ...
The Journal of Physical Chemistry B 116 (9), 2969-2980, 2012
262012
Vibrational dynamics of polyatomic molecules in solution: assignment, time evolution and mixing of instantaneous normal modes
A Kalstein, S Fernández-Alberti, A Bastida, MA Soler, MH Farag, J Zúñiga, ...
Theoretical Chemistry Accounts 128, 769-782, 2011
262011
Assessing the capability of in silico mutation protocols for predicting the finite temperature conformation of amino acids
R Ochoa, MA Soler, A Laio, P Cossio
Physical Chemistry Chemical Physics 20 (40), 25901-25909, 2018
232018
Computational design of cyclic peptides for the customized oriented immobilization of globular proteins
MA Soler, A Rodriguez, A Russo, AF Adedeji, CJD Foumthuim, ...
Physical Chemistry Chemical Physics 19 (4), 2740-2748, 2017
232017
Molecular Dynamics Simulations and Instantaneous Normal-Mode Analysis of the Vibrational Relaxation of the C−H Stretching Modes of N-methylacetamide-d in …
A Bastida, MA Soler, J Zuniga, A Requena, A Kalstein, ...
The Journal of Physical Chemistry A 114 (43), 11450-11461, 2010
222010
Accurate estimation of the entropy of rotation–translation probability distributions
F Fogolari, CJ Dongmo Foumthuim, S Fortuna, MA Soler, A Corazza, ...
Journal of chemical theory and computation 12 (1), 1-8, 2016
212016
How Difficult Is It to Fold a Knotted Protein? In Silico Insights from Surface-Tethered Folding Experiments
MA Soler, PFN Faisca
PLoS One 7 (12), e52343, 2012
202012
A method for analyzing the vibrational energy flow in biomolecules in solution
MA Soler, A Bastida, MH Farag, J Zúñiga, A Requena
The Journal of chemical physics 135 (20), 2011
192011
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