List of works - Miguel A Soler

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

scientific article published in November 2011

Accurate Estimation of the Entropy of Rotation-Translation Probability Distributions

scientific article published on 24 November 2015

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

scientific article

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

scientific article published on 01 October 2018

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

scientific article published on 12 January 2018

Computational design of cyclic peptides for the customized oriented immobilization of globular proteins

scientific article published on 6 January 2017

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

scientific article published on 8 January 2016

Distance-Based Configurational Entropy of Proteins from Molecular Dynamics Simulations

scientific article

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

scientific article published in July 2014

Effects of knots on protein folding properties

scientific article

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

scientific article published in March 2009

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

scientific article published on 15 October 2021

How difficult is it to fold a knotted protein? In silico insights from surface-tethered folding experiments

scientific article

Hybrid Quantum/Classical Simulations of the Vibrational Relaxation of the Amide I Mode of N-Methylacetamide in D2O Solution

scientific article published on 23 February 2012

Influence of Linker Flexibility on the Binding Affinity of Bidentate Binders

scientific article published on 5 April 2017

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

scientific article published in June 2010

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

scientific article published on 10 October 2016

Molecular dynamics simulations and instantaneous normal-mode analysis of the vibrational relaxation of the C-H stretching modes of N-methylacetamide-d in liquid deuterated water.

scientific article published on November 2010

Signature of nonadiabatic coupling in excited-state vibrational modes.

scientific article published on 24 June 2014

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

scientific article published in September 2016

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

scientific article published on 10 December 2020

Understanding the connection between conformational changes of peptides and equilibrium thermal fluctuations

scientific article published on 18 January 2017

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

scientific article published on 13 October 2010

List of works by Miguel A Soler

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

Accurate Estimation of the Entropy of Rotation-Translation Probability Distributions

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

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

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

Computational design of cyclic peptides for the customized oriented immobilization of globular proteins

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

Distance-Based Configurational Entropy of Proteins from Molecular Dynamics Simulations

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

Effects of knots on protein folding properties

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

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

How difficult is it to fold a knotted protein? In silico insights from surface-tethered folding experiments

Hybrid Quantum/Classical Simulations of the Vibrational Relaxation of the Amide I Mode of N-Methylacetamide in D2O Solution

Influence of Linker Flexibility on the Binding Affinity of Bidentate Binders

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

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

Molecular dynamics simulations and instantaneous normal-mode analysis of the vibrational relaxation of the C-H stretching modes of N-methylacetamide-d in liquid deuterated water.

Signature of nonadiabatic coupling in excited-state vibrational modes.

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

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

Understanding the connection between conformational changes of peptides and equilibrium thermal fluctuations

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