Rodriguez Garcia, Alejandro

Rodriguez Garcia, Alejandro  

SCUOLA INTERNAZIONALE SUPERIORE DI STUDI AVANZATI DI TRIESTE  

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Risultati 1 - 20 di 31 (tempo di esecuzione: 0.021 secondi).
Titolo Data di pubblicazione Autori File
A benchmark calculation for the fuzzy c-means clustering algorithm: initial memberships 1-gen-2012 Rodriguez Garcia, Alejandro +
A comparative QM/MM study of the reaction mechanism of the Hepatitis C virus NS3/NS4A protease with the three main natural substrates NS5A/5B, NS4B/5A and NS4A/4B 1-gen-2010 Rodriguez Garcia, Alejandro +
A quantum mechanics/molecular mechanics study of the reaction mechanism of the hepatitis C virus NS3 protease with the NS5A/5B substrate 1-gen-2007 Rodriguez Garcia, Alejandro +
Assessment of the performance of cluster analysis grouping using pharmacophores as molecular descriptors 1-gen-2005 Rodriguez Garcia, Alejandro +
Automatic topography of high-dimensional data sets by non-parametric density peak clustering 1-gen-2021 d'Errico M.Facco E.Laio A.Rodriguez Garcia A.
Candidate Binding Sites for Allosteric Inhibition of the SARS-CoV-2 Main Protease from the Analysis of Large-Scale Molecular Dynamics Simulations 1-gen-2021 Carli ,M.Sormani, G.Rodriguez Garcia, A.Laio, A.
Clustering by fast search-and-find of density peaks 1-gen-2014 Rodriguez Alex, A.Laio, Alessandro
Comparison of different quantum mechanical/molecular mechanics boundary treatments in the reaction of the hepatitis C virus NS3 protease with the NS5A/5B substrate 1-gen-2007 Rodriguez Garcia, Alejandro +
Computational design of cyclic peptides for the customized oriented immobilization of globular proteins 1-gen-2017 Rodriguez, AlexScoles, GiacintoLaio, Alessandro +
Computational investigation of the conformational profile of the four stereomers of Ac-L-Pro-c3Phe-NHMe (c3Phe= 2,3-methanophenylalanine) 1-gen-2009 Rodriguez Garcia, A. +
Computational study of the free energy landscape of the miniprotein CLN025 in explicit and implicit solvent 1-gen-2011 Rodriguez Garcia, Alejandro +
Computing the Free Energy without Collective Variables 1-gen-2018 Rodriguez, AlexD'Errico, MariaFacco, ElenaLaio, Alessandro
Conformational Diversity in Contryphans from Conus Venom: cis-trans Isomerisation and Aromatic/Proline Interactions in the 23-Membered Ring of a 7-Residue Peptide Disulfide Loop 1-gen-2013 Rodriguez Garcia, Alejandro +
Conformational space search of Neuromedin C using replica exchange molecular dynamics and molecular dynamics 1-gen-2011 Rodriguez Garcia, Alejandro +
Designing High-Affinity Peptides for Organic Molecules by Explicit Solvent Molecular Dynamics 1-gen-2015 Gladich, IvanRodriguez, A.Hong Enriquez, Rolando PabloGuida, FilomenaBerti, FedericoLaio, Alessandro
An efficient algorithm to perform local concerted movements of a chain molecule 1-gen-2015 Zamuner, S.Rodriguez Garcia. A.Trovato, A. +
Estimating the intrinsic dimension of datasets by a minimal neighborhood information 1-gen-2017 Facco, ElenaD'Errico, MariaRodriguez, AlexLaio, Alessandro
Explicit Characterization of the Free-Energy Landscape of a Protein in the Space of All Its Cα Carbons 1-gen-2020 Sormani G.Rodriguez A.Laio A.
Further theoretical insight into the reaction mechanism of the hepatitis C NS3/NS4A serine protease 1-gen-2015 Rodriguez Garcia, A. +
Intrinsic Dimension of Path Integrals: Data-Mining Quantum Criticality and Emergent Simplicity 1-gen-2021 Angelone, A.Rodriguez Garcia, A.Fazio, R.Dalmonte, M. +