Sfoglia per Autore
Electrophilic behavior of 3-methyl-2-methylthio-1,3,4-thiadiazolium salts: A multimodal theoretical approach
2005-01-01 Espinosa, A.; Frontera, A.; Garcia, R.; Soler, M. A.; Tarraga, A.
Efficient parabolic evaluation of coupling terms in hybrid quantum/classical simulations
2009-01-01 Bastida, A.; Soler, M. A.; Zuniga, J.; Requena, A.; Miguel, B.
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
2010-01-01 Bastida, A.; Soler, M. A.; Zuniga, J.; Requena, A.; Kalstein, A.; Fernandez-Alberti, S.
Instantaneous normal modes, resonances, and decay channels in the vibrational relaxation of the amide i mode of N -methylacetamide-D in liquid deuterated water
2010-01-01 Bastida, Adolfo; SOLER BASTIDA, Miguel Angel; Zúñiga, J.; Requena, A.; Kalstein, A.; Fernandez-Alberti, S.
Vibrational dynamics of polyatomic molecules in solution: Assignment, time evolution and mixing of instantaneous normal modes
2011-01-01 Kalstein, A.; Fernandez-Alberti, S.; Bastida, A.; Soler, M. A.; Farag, M. H.; Zuniga, J.; Requena, A.
A method for analyzing the vibrational energy flow in biomolecules in solution
2011-01-01 Soler, M. A.; Bastida, A.; Farag, M. H.; Zuniga, J.; Requena, A.
Hybrid quantum/classical simulations of the vibrational relaxation of the amide i mode of N -methylacetamide in D2O solution
2012-01-01 Bastida, A.; Soler, M. A.; Zuniga, J.; Requena, A.; Kalstein, A.; Fernandez-Alberti, S.
How Difficult Is It to Fold a Knotted Protein? In Silico Insights from Surface-Tethered Folding Experiments
2012-01-01 Soler, M. A.; Faisca, P. F. N.
Analysis of state-specific vibrations coupled to the unidirectional energy transfer in conjugated dendrimers
2012-01-01 Soler, M. A.; Roitberg, A. E.; Nelson, T.; Tretiak, S.; Fernandez-Alberti, S.
Effects of Knots on Protein Folding Properties
2013-01-01 Soler, M. A.; Faisca, P. F. N.
Signature of nonadiabatic coupling in excited-state vibrational modes
2014-01-01 Soler, M. A.; Nelson, T.; Roitberg, A. E.; Tretiak, S.; Fernandez-Alberti, S.
Effects of knot type in the folding of topologically complex lattice proteins
2014-01-01 Soler, M. A.; Nunes, A.; Faisca, P. F. N.
Distance-Based Configurational Entropy of Proteins from Molecular Dynamics Simulations
2015-01-01 Fogolari, Federico; Corazza, Alessandra; Fortuna, Sara; Soler, Miguel Angel; Vanschouwen, Bryan; Brancolini, Giorgia; Corni, Stefano; Melacini, Giuseppe; Esposito, Gennaro
Steric confinement and enhanced local flexibility assist knotting in simple models of protein folding
2016-01-01 Soler, M. A.; Rey, A.; Faisca, P. F. N.
Molecular dynamics simulations and docking enable to explore the biophysical factors controlling the yields of engineered nanobodies
2016-01-01 Soler, M. A.; De Marco, A.; Fortuna, S.
Accurate estimation of the entropy of rotation-translation probability distributions
2016-01-01 Fogolari, Federico; DONGMO FOUMTHUIM, Cedrix Jurgal; Fortuna, Sara; Soler, Miguel A; Corazza, Alessandra; Esposito, Gennaro
Conformational Changes of Trialanine in Water Induced by Vibrational Relaxation of the Amide i Mode
2016-01-01 Bastida, A.; Zuniga, J.; Requena, A.; Miguel, B.; Candela, M. E.; Soler, M. A.
Computational design of cyclic peptides for the customized oriented immobilization of globular proteins
2017-01-01 SOLER BASTIDA, Miguel Angel; Rodriguez, Alex; Russo, Anna; Adedeji, Abimbola Feyisara; Dongmo Foumthuim, Cedrix J.; Cantarutti, Cristina; Ambrosetti, Elena; Casalis, Loredana; Corazza, Alessandra; Scoles, Giacinto; Marasco, Daniela; Laio, Alessandro; Fortuna, Sara
Understanding the connection between conformational changes of peptides and equilibrium thermal fluctuations
2017-01-01 Soler, M. A.; Zuniga, J.; Requena, A.; Bastida, A.
Influence of Linker Flexibility on the Binding Affinity of Bidentate Binders
2017-01-01 Soler, M. A.; Fortuna, S.
Assessing the capability of in silico mutation protocols for predicting the finite temperature conformation of amino acids
2018-01-01 Ochoa, R.; Soler, M. A.; Laio, A.; Cossio, P.
Binding affinity prediction of nanobody-protein complexes by scoring of molecular dynamics trajectories
2018-01-01 Soler, M. A.; Fortuna, S.; De Marco, A.; Laio, A.
A consensus protocol for the In silico optimisation of antibody fragments
2019-01-01 Soler, M. A.; Medagli, B.; Semrau, M. S.; Storici, P.; Bajc, G.; De Marco, A.; Laio, A.; Fortuna, S.
AMPA receptor GluA2 subunit defects are a cause of neurodevelopmental disorders
2019-01-01 Salpietro, V.; Dixon, C. L.; Guo, H.; Bello, O. D.; Vandrovcova, J.; Efthymiou, S.; Maroofian, R.; Heimer, G.; Burglen, L.; Valence, S.; Torti, E.; Hacke, M.; Rankin, J.; Tariq, H.; Colin, E.; Procaccio, V.; Striano, P.; Mankad, K.; Lieb, A.; Chen, S.; Pisani, L.; Bettencourt, C.; Mannikko, R.; Manole, A.; Brusco, A.; Grosso, E.; Ferrero, G. B.; Armstrong-Moron, J.; Gueden, S.; Bar-Yosef, O.; Tzadok, M.; Monaghan, K. G.; Santiago-Sim, T.; Person, R. E.; Cho, M. T.; Willaert, R.; Yoo, Y.; Chae, J. -H.; Quan, Y.; Wu, H.; Wang, T.; Bernier, R. A.; Xia, K.; Blesson, A.; Jain, M.; Motazacker, M. M.; Jaeger, B.; Schneider, A. L.; Boysen, K.; Muir, A. M.; Myers, C. T.; Gavrilova, R. H.; Gunderson, L.; Schultz-Rogers, L.; Klee, E. W.; Dyment, D.; Osmond, M.; Parellada, M.; Llorente, C.; Gonzalez-Penas, J.; Carracedo, A.; Van Haeringen, A.; Ruivenkamp, C.; Nava, C.; Heron, D.; Nardello, R.; Iacomino, M.; Minetti, C.; Skabar, A.; Fabretto, A.; Hanna, M. G.; Bugiardini, E.; Hostettler, I.; O'Callaghan, B.; Khan, A.; Cortese, A.; O'Connor, E.; Yau, W. Y.; Bourinaris, T.; Kaiyrzhanov, R.; Chelban, V.; Madej, M.; Diana, M. C.; Vari, M. S.; Pedemonte, M.; Bruno, C.; Balagura, G.; Scala, M.; Fiorillo, C.; Nobili, L.; Malintan, N. T.; Zanetti, M. N.; Krishnakumar, S. S.; Lignani, G.; Jepson, J. E. C.; Broda, P.; Baldassari, S.; Rossi, P.; Fruscione, F.; Madia, F.; Traverso, M.; De-Marco, P.; Perez-Duenas, B.; Munell, F.; Kriouile, Y.; El-Khorassani, M.; Karashova, B.; Avdjieva, D.; Kathom, H.; Tincheva, R.; Van-Maldergem, L.; Nachbauer, W.; Boesch, S.; Gagliano, A.; Amadori, E.; Goraya, J. S.; Sultan, T.; Kirmani, S.; Ibrahim, S.; Jan, F.; Mine, J.; Banu, S.; Veggiotti, P.; Zuccotti, G. V.; Ferrari, M. D.; Van Den Maagdenberg, A. M. J.; Verrotti, A.; Marseglia, G. L.; Savasta, S.; Soler, M. A.; Scuderi, C.; Borgione, E.; Chimenz, R.; Gitto, E.; Dipasquale, V.; Sallemi, A.; Fusco, M.; Cuppari, C.; Cutrupi, M. C.; Ruggieri, M.; Cama, A.; Capra, V.; Mencacci, N. E.; Boles, R.; Gupta, N.; Kabra, M.; Papacostas, S.; Zamba-Papanicolaou, E.; Dardiotis, E.; Maqbool, S.; Rana, N.; Atawneh, O.; Lim, S. Y.; Shaikh, F.; Koutsis, G.; Breza, M.; Coviello, D. A.; Dauvilliers, Y. A.; Alkhawaja, I.; Alkhawaja, M.; Al-Mutairi, F.; Stojkovic, T.; Ferrucci, V.; Zollo, M.; Alkuraya, F. S.; Kinali, M.; Sherifa, H.; Benrhouma, H.; Turki, I. B. Y.; Tazir, M.; Obeid, M.; Bakhtadze, S.; Saadi, N. W.; Zaki, M. S.; Triki, C. C.; Benfenati, F.; Gustincich, S.; Kara, M.; Belcastro, V.; Specchio, N.; Capovilla, G.; Karimiani, E. G.; Salih, A. M.; Okubadejo, N. U.; Ojo, O. O.; Oshinaike, O. O.; Oguntunde, O.; Wahab, K.; Bello, A. H.; Abubakar, S.; Obiabo, Y.; Nwazor, E.; Ekenze, O.; Williams, U.; Iyagba, A.; Taiwo, L.; Komolafe, M.; Senkevich, K.; Shashkin, C.; Zharkynbekova, N.; Koneyev, K.; Manizha, G.; Isrofilov, M.; Guliyeva, U.; Salayev, K.; Khachatryan, S.; Rossi, S.; Silvestri, G.; Haridy, N.; Ramenghi, L. A.; Xiromerisiou, G.; David, E.; Aguennouz, M.; Fidani, L.; Spanaki, C.; Tucci, A.; Raspall-Chaure, M.; Chez, M.; Tsai, A.; Fassi, E.; Shinawi, M.; Constantino, J. N.; De Zorzi, R.; Fortuna, S.; Kok, F.; Keren, B.; Bonneau, D.; Choi, M.; Benzeev, B.; Zara, F.; Mefford, H. C.; Scheffer, I. E.; Clayton-Smith, J.; Macaya, A.; Rothman, J. E.; Eichler, E. E.; Kullmann, D. M.; Houlden, H.
Multiplexed Discrimination of Single Amino Acid Residues in Polypeptides in a Single SERS Hot Spot
2020-01-01 Huang, J. -A.; Mousavi, M. Z.; Giovannini, G.; Zhao, Y.; Hubarevich, A.; Soler, M. A.; Rocchia, W.; Garoli, D.; De Angelis, F.
Effect of humanizing mutations on the stability of the llama single-domain variable region
2021-01-01 Soler, M. A.; Medagli, B.; Wang, J.; Oloketuyi, S.; Bajc, G.; Huang, H.; Fortuna, S.; De Marco, A.
Insights on peptide topology in the computational design of protein ligands: The example of lysozyme binding peptides
2021-01-01 Cantarutti, C.; Vargas, M. C.; Dongmo Foumthuim, C. J.; Dumoulin, M.; La Manna, S.; Marasco, D.; Santambrogio, C.; Grandori, R.; Scoles, G.; Soler, M. A.; Corazza, A.; Fortuna, S.
PARCE: Protocol for Amino acid Refinement through Computational Evolution
2021-01-01 Ochoa, R.; Soler, M. A.; Laio, A.; Cossio, P.
Enhanced Molecular Dynamics Method to Efficiently Increase the Discrimination Capability of Computational Protein-Protein Docking
2021-01-01 Scafuri, N.; Soler, M. A.; Spitaleri, A.; Rocchia, W.
Tuning Local Hydration Enables a Deeper Understanding of Protein-Ligand Binding: The PP1-Src Kinase Case
2021-01-01 Spitaleri, A.; Zia, S. R.; Di Micco, P.; Al-Lazikani, B.; Soler, M. A.; Rocchia, W.
Computational evolution of beta-2-microglubulin binding peptides for nanopatterned surface sensors
2021-01-01 Adedeji Olulana, A. F.; Soler, M. A.; Lotteri, M.; Vondracek, H.; Casalis, L.; Marasco, D.; Castronovo, M.; Fortuna, S.
A homozygous MED11 C-terminal variant causes a lethal neurodegenerative disease
2022-01-01 Calì, Elisa; Lin, Sheng-Jia; Rocca, Clarissa; Sahin, Yavuz; Al Shamsi, Aisha; El Chehadeh, Salima; Chaabouni, Myriam; Mankad, Kshitij; Galanaki, Evangelia; Efthymiou, Stephanie; Sudhakar, Sniya; Athanasiou-Fragkouli, Alkyoni; Çelik, Tamer; Narlı, Nejat; Bianca, Sebastiano; Murphy, David; De Carvalho Moreira, Francisco Martins; Accogli, Andrea; Petree, Cassidy; Huang, Kevin; Monastiri, Kamel; Edizadeh, Masoud; Nardello, Rosaria; Ognibene, Marzia; De Marco, Patrizia; Ruggieri, Martino; Zara, Federico; Striano, Pasquale; Şahin, Yavuz; Al-Gazali, Lihadh; Abi Warde, Marie Therese; Gerard, Benedicte; Zifarelli, Giovanni; Beetz, Christian; Fortuna, Sara; Soler, Miguel; Valente, Enza Maria; Varshney, Gaurav; Maroofian, Reza; Salpietro, Vincenzo; Houlden, Henry
Genotype-phenotype correlations and disease mechanisms in PEX13-related Zellweger spectrum disorders
2022-01-01 Borgia, Paola; Baldassari, Simona; Pedemonte, Nicoletta; Alkhunaizi, Ebba; D'Onofrio, Gianluca; Tortora, Domenico; Calì, Elisa; Scudieri, Paolo; Balagura, Ganna; Musante, Ilaria; Diana, Maria Cristina; Pedemonte, Marina; Vari, Maria Stella; Iacomino, Michele; Riva, Antonella; Chimenz, Roberto; Mangano, Giuseppe D; Mohammadi, Mohammad Hasan; Toosi, Mehran Beiraghi; Ashrafzadeh, Farah; Imannezhad, Shima; Karimiani, Ehsan Ghayoor; Accogli, Andrea; Schiaffino, Maria Cristina; Maghnie, Mohamad; Soler, Miguel Angel; Echiverri, Karl; Abrams, Charles K; Striano, Pasquale; Fortuna, Sara; Maroofian, Reza; Houlden, Henry; Zara, Federico; Fiorillo, Chiara; Salpietro, Vincenzo
Computational Evolution Protocol for Peptide Design
2022-01-01 Ochoa, R.; Soler, M. A.; Gladich, I.; Battisti, A.; Minovski, N.; Rodriguez, A.; Fortuna, S.; Cossio, P.; Laio, A.
Antibody-Antigen Binding Interface Analysis in the Big Data Era
2022-01-01 Reis, P. B. P. S.; Barletta, G. P.; Gagliardi, L.; Fortuna, S.; Soler, M. A.; Rocchia, W.
Replica-exchange optimization of antibody fragments
2023-01-01 Soler, M. A.; Minovski, N.; Rocchia, W.; Fortuna, S.
Molecular electrostatics and pKa shifts calculations with the Generalized Born model. A tutorial through examples with Bluues2
2023-01-01 Soler, M. A.; Ozkilinc, O.; Hunashal, Y.; Giannozzi, P.; Esposito, G.; Fogolari, F.
Antibody Affinity Maturation Using Computational Methods: From an Initial Hit to Small-Scale Expression of Optimized Binders
2023-01-01 Medagli, Barbara; Soler, Miguel A; De Zorzi, Rita; Fortuna, Sara
A PAK1 Mutational Hotspot Within the Regulatory CRIPaK Domain is Associated With Severe Neurodevelopmental Disorders in Children
2023-01-01 Scorrano, G.; D'Onofrio, G.; Accogli, A.; Severino, M.; Buchert, R.; Kotzaeridou, U.; Iapadre, G.; Farello, G.; Iacomino, M.; Dono, F.; Di Francesco, L.; Fiorile, M. F.; La Bella, S.; Corsello, A.; Cali, E.; Di Rosa, G.; Gitto, E.; Verrotti, A.; Fortuna, S.; Soler, M. A.; Chiarelli, F.; Oehl-Jaschkowitz, B.; Haack, T. B.; Zara, F.; Striano, P.; Salpietro, V.
Description of conformational ensembles of disordered proteins by residue-local probabilities
2023-01-01 Bastida, A.; Zúñiga, J.; Miguel, B.; Soler, M. A.
Computational Mutagenesis of Antibody Fragments: Disentangling Side Chains from ΔΔG Predictions
2024-01-01 Tandiana, R.; Barletta, G. P.; Soler, M. A.; Fortuna, S.; Rocchia, W.
Reactive natural deep eutectic solvents increase selectivity and efficiency of lipase catalyzed esterification of carbohydrate polyols
2024-01-01 Buzatu, A. R.; Soler, M. A.; Fortuna, S.; Ozkilinc, O.; Dreava, D. M.; Bitcan, I.; Badea, V.; Giannozzi, P.; Fogolari, F.; Gardossi, L.; Peter, F.; Todea, A.; Boeriu, C. G.
| Titolo | Data di pubblicazione | Autore(i) | File |
|---|---|---|---|
| Electrophilic behavior of 3-methyl-2-methylthio-1,3,4-thiadiazolium salts: A multimodal theoretical approach | 1-gen-2005 | Espinosa, A.; Frontera, A.; Garcia, R.; Soler, M. A.; Tarraga, A. | |
| Efficient parabolic evaluation of coupling terms in hybrid quantum/classical simulations | 1-gen-2009 | Bastida, A.; Soler, M. A.; Zuniga, J.; Requena, A.; Miguel, B. | |
| 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 | 1-gen-2010 | Bastida, A.; Soler, M. A.; Zuniga, J.; Requena, A.; Kalstein, A.; Fernandez-Alberti, S. | |
| Instantaneous normal modes, resonances, and decay channels in the vibrational relaxation of the amide i mode of N -methylacetamide-D in liquid deuterated water | 1-gen-2010 | Bastida, Adolfo; SOLER BASTIDA, Miguel Angel; Zúñiga, J.; Requena, A.; Kalstein, A.; Fernandez-Alberti, S. | |
| Vibrational dynamics of polyatomic molecules in solution: Assignment, time evolution and mixing of instantaneous normal modes | 1-gen-2011 | Kalstein, A.; Fernandez-Alberti, S.; Bastida, A.; Soler, M. A.; Farag, M. H.; Zuniga, J.; Requena, A. | |
| A method for analyzing the vibrational energy flow in biomolecules in solution | 1-gen-2011 | Soler, M. A.; Bastida, A.; Farag, M. H.; Zuniga, J.; Requena, A. | |
| Hybrid quantum/classical simulations of the vibrational relaxation of the amide i mode of N -methylacetamide in D2O solution | 1-gen-2012 | Bastida, A.; Soler, M. A.; Zuniga, J.; Requena, A.; Kalstein, A.; Fernandez-Alberti, S. | |
| How Difficult Is It to Fold a Knotted Protein? In Silico Insights from Surface-Tethered Folding Experiments | 1-gen-2012 | Soler, M. A.; Faisca, P. F. N. | |
| Analysis of state-specific vibrations coupled to the unidirectional energy transfer in conjugated dendrimers | 1-gen-2012 | Soler, M. A.; Roitberg, A. E.; Nelson, T.; Tretiak, S.; Fernandez-Alberti, S. | |
| Effects of Knots on Protein Folding Properties | 1-gen-2013 | Soler, M. A.; Faisca, P. F. N. | |
| Signature of nonadiabatic coupling in excited-state vibrational modes | 1-gen-2014 | Soler, M. A.; Nelson, T.; Roitberg, A. E.; Tretiak, S.; Fernandez-Alberti, S. | |
| Effects of knot type in the folding of topologically complex lattice proteins | 1-gen-2014 | Soler, M. A.; Nunes, A.; Faisca, P. F. N. | |
| Distance-Based Configurational Entropy of Proteins from Molecular Dynamics Simulations | 1-gen-2015 | Fogolari, Federico; Corazza, Alessandra; Fortuna, Sara; Soler, Miguel Angel; Vanschouwen, Bryan; Brancolini, Giorgia; Corni, Stefano; Melacini, Giuseppe; Esposito, Gennaro | |
| Steric confinement and enhanced local flexibility assist knotting in simple models of protein folding | 1-gen-2016 | Soler, M. A.; Rey, A.; Faisca, P. F. N. | |
| Molecular dynamics simulations and docking enable to explore the biophysical factors controlling the yields of engineered nanobodies | 1-gen-2016 | Soler, M. A.; De Marco, A.; Fortuna, S. | |
| Accurate estimation of the entropy of rotation-translation probability distributions | 1-gen-2016 | Fogolari, Federico; DONGMO FOUMTHUIM, Cedrix Jurgal; Fortuna, Sara; Soler, Miguel A; Corazza, Alessandra; Esposito, Gennaro | |
| Conformational Changes of Trialanine in Water Induced by Vibrational Relaxation of the Amide i Mode | 1-gen-2016 | Bastida, A.; Zuniga, J.; Requena, A.; Miguel, B.; Candela, M. E.; Soler, M. A. | |
| Computational design of cyclic peptides for the customized oriented immobilization of globular proteins | 1-gen-2017 | SOLER BASTIDA, Miguel Angel; Rodriguez, Alex; Russo, Anna; Adedeji, Abimbola Feyisara; Dongmo Foumthuim, Cedrix J.; Cantarutti, Cristina; Ambrosetti, Elena; Casalis, Loredana; Corazza, Alessandra; Scoles, Giacinto; Marasco, Daniela; Laio, Alessandro; Fortuna, Sara | |
| Understanding the connection between conformational changes of peptides and equilibrium thermal fluctuations | 1-gen-2017 | Soler, M. A.; Zuniga, J.; Requena, A.; Bastida, A. | |
| Influence of Linker Flexibility on the Binding Affinity of Bidentate Binders | 1-gen-2017 | Soler, M. A.; Fortuna, S. | |
| Assessing the capability of in silico mutation protocols for predicting the finite temperature conformation of amino acids | 1-gen-2018 | Ochoa, R.; Soler, M. A.; Laio, A.; Cossio, P. | |
| Binding affinity prediction of nanobody-protein complexes by scoring of molecular dynamics trajectories | 1-gen-2018 | Soler, M. A.; Fortuna, S.; De Marco, A.; Laio, A. | |
| A consensus protocol for the In silico optimisation of antibody fragments | 1-gen-2019 | Soler, M. A.; Medagli, B.; Semrau, M. S.; Storici, P.; Bajc, G.; De Marco, A.; Laio, A.; Fortuna, S. | |
| AMPA receptor GluA2 subunit defects are a cause of neurodevelopmental disorders | 1-gen-2019 | Salpietro, V.; Dixon, C. L.; Guo, H.; Bello, O. D.; Vandrovcova, J.; Efthymiou, S.; Maroofian, R.; Heimer, G.; Burglen, L.; Valence, S.; Torti, E.; Hacke, M.; Rankin, J.; Tariq, H.; Colin, E.; Procaccio, V.; Striano, P.; Mankad, K.; Lieb, A.; Chen, S.; Pisani, L.; Bettencourt, C.; Mannikko, R.; Manole, A.; Brusco, A.; Grosso, E.; Ferrero, G. B.; Armstrong-Moron, J.; Gueden, S.; Bar-Yosef, O.; Tzadok, M.; Monaghan, K. G.; Santiago-Sim, T.; Person, R. E.; Cho, M. T.; Willaert, R.; Yoo, Y.; Chae, J. -H.; Quan, Y.; Wu, H.; Wang, T.; Bernier, R. A.; Xia, K.; Blesson, A.; Jain, M.; Motazacker, M. M.; Jaeger, B.; Schneider, A. L.; Boysen, K.; Muir, A. M.; Myers, C. T.; Gavrilova, R. H.; Gunderson, L.; Schultz-Rogers, L.; Klee, E. W.; Dyment, D.; Osmond, M.; Parellada, M.; Llorente, C.; Gonzalez-Penas, J.; Carracedo, A.; Van Haeringen, A.; Ruivenkamp, C.; Nava, C.; Heron, D.; Nardello, R.; Iacomino, M.; Minetti, C.; Skabar, A.; Fabretto, A.; Hanna, M. G.; Bugiardini, E.; Hostettler, I.; O'Callaghan, B.; Khan, A.; Cortese, A.; O'Connor, E.; Yau, W. Y.; Bourinaris, T.; Kaiyrzhanov, R.; Chelban, V.; Madej, M.; Diana, M. C.; Vari, M. S.; Pedemonte, M.; Bruno, C.; Balagura, G.; Scala, M.; Fiorillo, C.; Nobili, L.; Malintan, N. T.; Zanetti, M. N.; Krishnakumar, S. S.; Lignani, G.; Jepson, J. E. C.; Broda, P.; Baldassari, S.; Rossi, P.; Fruscione, F.; Madia, F.; Traverso, M.; De-Marco, P.; Perez-Duenas, B.; Munell, F.; Kriouile, Y.; El-Khorassani, M.; Karashova, B.; Avdjieva, D.; Kathom, H.; Tincheva, R.; Van-Maldergem, L.; Nachbauer, W.; Boesch, S.; Gagliano, A.; Amadori, E.; Goraya, J. S.; Sultan, T.; Kirmani, S.; Ibrahim, S.; Jan, F.; Mine, J.; Banu, S.; Veggiotti, P.; Zuccotti, G. V.; Ferrari, M. D.; Van Den Maagdenberg, A. M. J.; Verrotti, A.; Marseglia, G. L.; Savasta, S.; Soler, M. A.; Scuderi, C.; Borgione, E.; Chimenz, R.; Gitto, E.; Dipasquale, V.; Sallemi, A.; Fusco, M.; Cuppari, C.; Cutrupi, M. C.; Ruggieri, M.; Cama, A.; Capra, V.; Mencacci, N. E.; Boles, R.; Gupta, N.; Kabra, M.; Papacostas, S.; Zamba-Papanicolaou, E.; Dardiotis, E.; Maqbool, S.; Rana, N.; Atawneh, O.; Lim, S. Y.; Shaikh, F.; Koutsis, G.; Breza, M.; Coviello, D. A.; Dauvilliers, Y. A.; Alkhawaja, I.; Alkhawaja, M.; Al-Mutairi, F.; Stojkovic, T.; Ferrucci, V.; Zollo, M.; Alkuraya, F. S.; Kinali, M.; Sherifa, H.; Benrhouma, H.; Turki, I. B. Y.; Tazir, M.; Obeid, M.; Bakhtadze, S.; Saadi, N. W.; Zaki, M. S.; Triki, C. C.; Benfenati, F.; Gustincich, S.; Kara, M.; Belcastro, V.; Specchio, N.; Capovilla, G.; Karimiani, E. G.; Salih, A. M.; Okubadejo, N. U.; Ojo, O. O.; Oshinaike, O. O.; Oguntunde, O.; Wahab, K.; Bello, A. H.; Abubakar, S.; Obiabo, Y.; Nwazor, E.; Ekenze, O.; Williams, U.; Iyagba, A.; Taiwo, L.; Komolafe, M.; Senkevich, K.; Shashkin, C.; Zharkynbekova, N.; Koneyev, K.; Manizha, G.; Isrofilov, M.; Guliyeva, U.; Salayev, K.; Khachatryan, S.; Rossi, S.; Silvestri, G.; Haridy, N.; Ramenghi, L. A.; Xiromerisiou, G.; David, E.; Aguennouz, M.; Fidani, L.; Spanaki, C.; Tucci, A.; Raspall-Chaure, M.; Chez, M.; Tsai, A.; Fassi, E.; Shinawi, M.; Constantino, J. N.; De Zorzi, R.; Fortuna, S.; Kok, F.; Keren, B.; Bonneau, D.; Choi, M.; Benzeev, B.; Zara, F.; Mefford, H. C.; Scheffer, I. E.; Clayton-Smith, J.; Macaya, A.; Rothman, J. E.; Eichler, E. E.; Kullmann, D. M.; Houlden, H. | |
| Multiplexed Discrimination of Single Amino Acid Residues in Polypeptides in a Single SERS Hot Spot | 1-gen-2020 | Huang, J. -A.; Mousavi, M. Z.; Giovannini, G.; Zhao, Y.; Hubarevich, A.; Soler, M. A.; Rocchia, W.; Garoli, D.; De Angelis, F. | |
| Effect of humanizing mutations on the stability of the llama single-domain variable region | 1-gen-2021 | Soler, M. A.; Medagli, B.; Wang, J.; Oloketuyi, S.; Bajc, G.; Huang, H.; Fortuna, S.; De Marco, A. | |
| Insights on peptide topology in the computational design of protein ligands: The example of lysozyme binding peptides | 1-gen-2021 | Cantarutti, C.; Vargas, M. C.; Dongmo Foumthuim, C. J.; Dumoulin, M.; La Manna, S.; Marasco, D.; Santambrogio, C.; Grandori, R.; Scoles, G.; Soler, M. A.; Corazza, A.; Fortuna, S. | |
| PARCE: Protocol for Amino acid Refinement through Computational Evolution | 1-gen-2021 | Ochoa, R.; Soler, M. A.; Laio, A.; Cossio, P. | |
| Enhanced Molecular Dynamics Method to Efficiently Increase the Discrimination Capability of Computational Protein-Protein Docking | 1-gen-2021 | Scafuri, N.; Soler, M. A.; Spitaleri, A.; Rocchia, W. | |
| Tuning Local Hydration Enables a Deeper Understanding of Protein-Ligand Binding: The PP1-Src Kinase Case | 1-gen-2021 | Spitaleri, A.; Zia, S. R.; Di Micco, P.; Al-Lazikani, B.; Soler, M. A.; Rocchia, W. | |
| Computational evolution of beta-2-microglubulin binding peptides for nanopatterned surface sensors | 1-gen-2021 | Adedeji Olulana, A. F.; Soler, M. A.; Lotteri, M.; Vondracek, H.; Casalis, L.; Marasco, D.; Castronovo, M.; Fortuna, S. | |
| A homozygous MED11 C-terminal variant causes a lethal neurodegenerative disease | 1-gen-2022 | Calì, Elisa; Lin, Sheng-Jia; Rocca, Clarissa; Sahin, Yavuz; Al Shamsi, Aisha; El Chehadeh, Salima; Chaabouni, Myriam; Mankad, Kshitij; Galanaki, Evangelia; Efthymiou, Stephanie; Sudhakar, Sniya; Athanasiou-Fragkouli, Alkyoni; Çelik, Tamer; Narlı, Nejat; Bianca, Sebastiano; Murphy, David; De Carvalho Moreira, Francisco Martins; Accogli, Andrea; Petree, Cassidy; Huang, Kevin; Monastiri, Kamel; Edizadeh, Masoud; Nardello, Rosaria; Ognibene, Marzia; De Marco, Patrizia; Ruggieri, Martino; Zara, Federico; Striano, Pasquale; Şahin, Yavuz; Al-Gazali, Lihadh; Abi Warde, Marie Therese; Gerard, Benedicte; Zifarelli, Giovanni; Beetz, Christian; Fortuna, Sara; Soler, Miguel; Valente, Enza Maria; Varshney, Gaurav; Maroofian, Reza; Salpietro, Vincenzo; Houlden, Henry | |
| Genotype-phenotype correlations and disease mechanisms in PEX13-related Zellweger spectrum disorders | 1-gen-2022 | Borgia, Paola; Baldassari, Simona; Pedemonte, Nicoletta; Alkhunaizi, Ebba; D'Onofrio, Gianluca; Tortora, Domenico; Calì, Elisa; Scudieri, Paolo; Balagura, Ganna; Musante, Ilaria; Diana, Maria Cristina; Pedemonte, Marina; Vari, Maria Stella; Iacomino, Michele; Riva, Antonella; Chimenz, Roberto; Mangano, Giuseppe D; Mohammadi, Mohammad Hasan; Toosi, Mehran Beiraghi; Ashrafzadeh, Farah; Imannezhad, Shima; Karimiani, Ehsan Ghayoor; Accogli, Andrea; Schiaffino, Maria Cristina; Maghnie, Mohamad; Soler, Miguel Angel; Echiverri, Karl; Abrams, Charles K; Striano, Pasquale; Fortuna, Sara; Maroofian, Reza; Houlden, Henry; Zara, Federico; Fiorillo, Chiara; Salpietro, Vincenzo | |
| Computational Evolution Protocol for Peptide Design | 1-gen-2022 | Ochoa, R.; Soler, M. A.; Gladich, I.; Battisti, A.; Minovski, N.; Rodriguez, A.; Fortuna, S.; Cossio, P.; Laio, A. | |
| Antibody-Antigen Binding Interface Analysis in the Big Data Era | 1-gen-2022 | Reis, P. B. P. S.; Barletta, G. P.; Gagliardi, L.; Fortuna, S.; Soler, M. A.; Rocchia, W. | |
| Replica-exchange optimization of antibody fragments | 1-gen-2023 | Soler, M. A.; Minovski, N.; Rocchia, W.; Fortuna, S. | |
| Molecular electrostatics and pKa shifts calculations with the Generalized Born model. A tutorial through examples with Bluues2 | 1-gen-2023 | Soler, M. A.; Ozkilinc, O.; Hunashal, Y.; Giannozzi, P.; Esposito, G.; Fogolari, F. | |
| Antibody Affinity Maturation Using Computational Methods: From an Initial Hit to Small-Scale Expression of Optimized Binders | 1-gen-2023 | Medagli, Barbara; Soler, Miguel A; De Zorzi, Rita; Fortuna, Sara | |
| A PAK1 Mutational Hotspot Within the Regulatory CRIPaK Domain is Associated With Severe Neurodevelopmental Disorders in Children | 1-gen-2023 | Scorrano, G.; D'Onofrio, G.; Accogli, A.; Severino, M.; Buchert, R.; Kotzaeridou, U.; Iapadre, G.; Farello, G.; Iacomino, M.; Dono, F.; Di Francesco, L.; Fiorile, M. F.; La Bella, S.; Corsello, A.; Cali, E.; Di Rosa, G.; Gitto, E.; Verrotti, A.; Fortuna, S.; Soler, M. A.; Chiarelli, F.; Oehl-Jaschkowitz, B.; Haack, T. B.; Zara, F.; Striano, P.; Salpietro, V. | |
| Description of conformational ensembles of disordered proteins by residue-local probabilities | 1-gen-2023 | Bastida, A.; Zúñiga, J.; Miguel, B.; Soler, M. A. | |
| Computational Mutagenesis of Antibody Fragments: Disentangling Side Chains from ΔΔG Predictions | 1-gen-2024 | Tandiana, R.; Barletta, G. P.; Soler, M. A.; Fortuna, S.; Rocchia, W. | |
| Reactive natural deep eutectic solvents increase selectivity and efficiency of lipase catalyzed esterification of carbohydrate polyols | 1-gen-2024 | Buzatu, A. R.; Soler, M. A.; Fortuna, S.; Ozkilinc, O.; Dreava, D. M.; Bitcan, I.; Badea, V.; Giannozzi, P.; Fogolari, F.; Gardossi, L.; Peter, F.; Todea, A.; Boeriu, C. G. |
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