Miguel A. Soler

发表

PARCE: Protocol for Amino acid Refinement through Computational Evolution

Alessandro Laio, Pilar Cossio, Rodrigo Ochoa, 2020, Comput. Phys. Commun..

Enhanced Molecular Dynamics Method to Efficiently Increase the Discrimination Capability of Computational Protein–Protein Docking

Miguel A. Soler, W. Rocchia, A. Spitaleri, 2021, Journal of chemical theory and computation.

Replica-exchange optimization of antibody fragments

Miguel A. Soler, W. Rocchia, Sara Fortuna, 2023, Comput. Biol. Chem..

PARCE: Protocol for Amino acid Refinement through Computational Evolution

Miguel A. Soler, Miguel A Soler, A. Laio, 2020, Computer Physics Communications.

A consensus protocol for the in silico optimisation of antibody fragments.

Alessandro Laio, Paola Storici, Miguel A. Soler, 2019, Chemical communications.

Binding affinity prediction of nanobody-protein complexes by scoring of molecular dynamics trajectories.

Miguel A. Soler, Miguel A Soler, A. Laio, 2018, Physical chemistry chemical physics : PCCP.

Effect of Humanizing Mutations on the Stability of the Llama Single-Domain Variable Region

Miguel A. Soler, Miguel A Soler, He Huang, 2021, Biomolecules.

Molecular dynamics simulations and docking enable to explore the biophysical factors controlling the yields of engineered nanobodies

Miguel A. Soler, Miguel A Soler, A. de Marco, 2016, Scientific Reports.

Antibody-Antigen Binding Interface Analysis in the Big Data Era

Miguel A. Soler, Miguel A Soler, Pedro B. P. S. Reis, 2022, Frontiers in Molecular Biosciences.

Signature of nonadiabatic coupling in excited-state vibrational modes.

Sergei Tretiak, Miguel A. Soler, Adrian E Roitberg, 2014, The journal of physical chemistry. A.

Steric confinement and enhanced local flexibility assist knotting in simple models of protein folding.

Miguel A. Soler, Antonio Rey, Miguel A Soler, 2016, Physical chemistry chemical physics : PCCP.

Genotype–phenotype correlations and disease mechanisms in PEX13-related Zellweger spectrum disorders

Miguel A. Soler, Miguel A Soler, P. Striano, 2022, Orphanet Journal of Rare Diseases.

Multiplex discrimination of single amino acid residues in polypeptides by single SERS hot spot.

Miguel A. Soler, W. Rocchia, A. Hubarevich, 2019, Angewandte Chemie.

Analysis of state-specific vibrations coupled to the unidirectional energy transfer in conjugated dendrimers.

Sergei Tretiak, Miguel A. Soler, Adrian E Roitberg, 2012, The journal of physical chemistry. A.

Effects of knot type in the folding of topologically complex lattice proteins.

Miguel A. Soler, Miguel A Soler, A. Nunes, 2014, The Journal of chemical physics.

Effects of Knots on Protein Folding Properties

Miguel A. Soler, Miguel A Soler, P. Faísca, 2013, PloS one.

A method for analyzing the vibrational energy flow in biomolecules in solution.

Miguel A. Soler, A. Bastida, J. Zúñiga, 2011, The Journal of chemical physics.

How Difficult Is It to Fold a Knotted Protein? In Silico Insights from Surface-Tethered Folding Experiments

Miguel A. Soler, Miguel A Soler, P. Faísca, 2012, PloS one.

Insights on peptide topology in the computational design of protein ligands: the example of lysozyme binding peptides.

Miguel A. Soler, G. Scoles, R. Grandori, 2021, Physical chemistry chemical physics : PCCP.

Molecular electrostatics and pKa shifts calculations with the Generalized Born model. A tutorial through examples with Bluues2

Miguel A. Soler, P. Giannozzi, F. Fogolari, 2023, Comput. Phys. Commun..

Hybrid quantum/classical simulations of the vibrational relaxation of the amide I mode of N-methylacetamide in D2O solution.

Miguel A. Soler, S. Fernandez-Alberti, A. Bastida, 2012, The journal of physical chemistry. B.

Instantaneous normal modes, resonances, and decay channels in the vibrational relaxation of the amide I mode of N-methylacetamide-D in liquid deuterated water.

Miguel A. Soler, S. Fernandez-Alberti, A. Bastida, 2010, The Journal of chemical physics.

Vibrational dynamics of polyatomic molecules in solution: assignment, time evolution and mixing of instantaneous normal modes

Miguel A. Soler, Alberto Requena, Miguel Angel Soler, 2011 .

Conformational Changes of Trialanine in Water Induced by Vibrational Relaxation of the Amide I Mode.

Miguel A. Soler, Miguel A Soler, A. Bastida, 2016, The journal of physical chemistry. B.

Multiplexed Discrimination of Single Amino Acid Residues in Polypeptides in a Single SERS Hot Spot

Miguel A. Soler, W. Rocchia, A. Hubarevich, 2020, Angewandte Chemie.

Computational Evolution of Beta-2-Microglobulin Binding Peptides for Nanopatterned Surface Sensors

Miguel A. Soler, Miguel A Soler, L. Casalis, 2021, International journal of molecular sciences.

AMPA receptor GluA2 subunit defects are a cause of neurodevelopmental disorders

Miguel A. Soler, Monika J. Madej, Nancy T. Malintan, 2019, Nature Communications.

Assessing the capability of in silico mutation protocols for predicting the finite temperature conformation of amino acids.

Miguel A. Soler, Miguel A Soler, A. Laio, 2018, Physical chemistry chemical physics : PCCP.

Tuning Local Hydration Enables a Deeper Understanding of Protein–Ligand Binding: The PP1-Src Kinase Case

Miguel A. Soler, Miguel A Soler, B. Al-Lazikani, 2020, The journal of physical chemistry letters.

Distance-Based Configurational Entropy of Proteins from Molecular Dynamics Simulations

Miguel A. Soler, Miguel A Soler, B. VanSchouwen, 2015, PloS one.

Efficient parabolic evaluation of coupling terms in hybrid quantum/classical simulations

Miguel A. Soler, Miguel A Soler, A. Bastida, 2009 .