Miguel Angel SOLER BASTIDA
- Position
- Researcher
- Telephone
- 041 234 8427
-
miguel.soler@unive.it
- Scientific sector (SSD)
- Biochimica [BIOS-07/A]
- Website
-
www.unive.it/people/miguel.soler (personal record)
Publications
| Year | Type | Publication |
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| 2025 | Journal Article |
Di Pasquale, Gabriele; Colella, Jacopo; Di Cataldo, Carola P.; Soler, Miguel A.; Fortuna, Sara; Mizrahi-Powell, Emma; Nizon, Mathilde; Cognè, Benjamin; Turchetti, Valentina; Mangano, Giuseppe D.; Comisi, Francesco F.; Cecchetti, Corrado; Giliberti, Alessandra; Nardello, Rosaria; Pavone, Piero; Falsaperla, Raffaele; Di Rosa, Gabriella; Evrony, Gilad D.; Delvecchio, Maurizio; Severino, Mariasavina; Accogli, Andrea; Vittori, Alessandro; Salpietro, Vincenzo A mutational hotspot in TUBB2A associated with impaired heterodimer formation and severe brain developmental disorders in FRONTIERS IN CELLULAR NEUROSCIENCE, vol. 19 (ISSN 1662-5102) DOI - ARCA card: 10278/5106779 |
| 2025 | Journal Article |
Falsaperla R.; Sortino V.; Soler M.A.; Spatuzza M.; Fortuna S.; Salpietro V. AMPA Receptor Modulation Through Medium-Chain Triglycerides and Decanoic Acid Supports Nutritional Intervention in Pediatric Epilepsy in NUTRIENTS, vol. 17 (ISSN 2072-6643) DOI - ARCA card: 10278/5106659 |
| 2025 | Journal Article |
Miguel Angel Soler; Rayyan Bassem Adel Yakout; Ozge Ozkilinc; Gennaro Esposito; Walter Rocchia; Christian Klein; Federico Fogolari Bluues_cplx: Electrostatics at Protein–Protein and Protein–Ligand Interfaces in MOLECULES, vol. 30 (ISSN 1420-3049) DOI - ARCA card: 10278/5106647 |
| 2025 | Journal Article |
Ozkilinc O.; Soler M.A.; Giannozzi P.; Aparicio S.; Fogolari F. The Single-Parameter Bragg–Williams Model for Eutectic Solvents in INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES, vol. 26 (ISSN 1422-0067) DOI - ARCA card: 10278/5106683 |
| 2025 | Journal Article |
Ozge Ozkilinc; Alfredo Bol-Arreba; Miguel Angel Soler; Federico Fogolari; Santiago Aparicio Thymol-Based Natural Deep Eutectic Solvents under Pressure: A Novel Platform for Green Solvents in INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH, vol. 64, pp. 17958-17974 (ISSN 0888-5885) DOI - ARCA card: 10278/5106341 |
| 2024 | Journal Article |
Tandiana R.; Barletta G.P.; Soler M.A.; Fortuna S.; Rocchia W. Computational Mutagenesis of Antibody Fragments: Disentangling Side Chains from ΔΔG Predictions in JOURNAL OF CHEMICAL THEORY AND COMPUTATION, vol. 20, pp. 2630-2642 (ISSN 1549-9618) DOI - ARCA card: 10278/5106651 |
| 2024 | Journal Article |
Buzatu A.R.; Soler M.A.; Ozkilinc O.; Fortuna S.; Dreava D.M.; Bitcan I.; Giannozzi P.; Fogolari F.; Gardossi L.; Peter F.; Todea A.; Boeriu C.G. Lipase-catalysed esterification in a reactive natural deep eutectic solvent leads to lauroylcholine chloride rather than glucose ester in REACTION CHEMISTRY & ENGINEERING, vol. 9, pp. 2623-2634 (ISSN 2058-9883) DOI - ARCA card: 10278/5106653 |
| 2024 | Journal Article |
Barletta G.P.; Tandiana R.; Soler M. A.; Fortuna S.; Rocchia W. Locuaz: an in silico platform for protein binders optimization in BIOINFORMATICS, vol. 40 (ISSN 1367-4803) DOI - ARCA card: 10278/5106676 |
| 2024 | Journal Article |
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. Reactive natural deep eutectic solvents increase selectivity and efficiency of lipase catalyzed esterification of carbohydrate polyols in CATALYSIS TODAY, vol. 426 (ISSN 0920-5861) DOI - ARCA card: 10278/5106686 |
| 2024 | Journal Article |
Bastida A.; Zuniga J.; Fogolari F.; Soler M.A. Statistical accuracy of molecular dynamics-based methods for sampling conformational ensembles of disordered proteins in PHYSICAL CHEMISTRY CHEMICAL PHYSICS, vol. 26, pp. 23213-23227 (ISSN 1463-9076) DOI - ARCA card: 10278/5106658 |
| 2023 | Journal Article |
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. A PAK1 Mutational Hotspot Within the Regulatory CRIPaK Domain is Associated With Severe Neurodevelopmental Disorders in Children in PEDIATRIC NEUROLOGY, vol. 149, pp. 84-92 (ISSN 0887-8994) DOI - ARCA card: 10278/5106677 |
| 2023 | Journal Article |
Bastida A.; Zuniga J.; Miguel B.; Soler M.A. Description of conformational ensembles of disordered proteins by residue-local probabilities in PHYSICAL CHEMISTRY CHEMICAL PHYSICS, vol. 25, pp. 10512-10524 (ISSN 1463-9076) DOI - ARCA card: 10278/5106654 |
| 2023 | Journal Article |
Soler M.A.; Ozkilinc O.; Hunashal Y.; Giannozzi P.; Esposito G.; Fogolari F. Molecular electrostatics and pKa shifts calculations with the Generalized Born model. A tutorial through examples with Bluues2 in COMPUTER PHYSICS COMMUNICATIONS, vol. 287 (ISSN 0010-4655) DOI - ARCA card: 10278/5106655 |
| 2023 | Journal Article |
Soler M.A.; Minovski N.; Rocchia W.; Fortuna S. Replica-exchange optimization of antibody fragments in COMPUTATIONAL BIOLOGY AND CHEMISTRY, vol. 103 (ISSN 1476-9271) DOI - ARCA card: 10278/5106649 |
| 2023 | Book Article |
Medagli B.; Soler M.A.; De Zorzi R.; Fortuna S. Antibody Affinity Maturation Using Computational Methods: From an Initial Hit to Small-Scale Expression of Optimized Binders , Methods in Molecular Biology, Humana Press Inc., vol. 2552, pp. 333-359 (ISBN 9781071626085; 9781071626092) (ISSN 1064-3745) DOI - ARCA card: 10278/5106778 |
| 2022 | Journal Article |
Cali E.; Lin S.-J.; Rocca C.; Sahin Y.; Al Shamsi A.; El Chehadeh S.; Chaabouni M.; Mankad K.; Galanaki E.; Efthymiou S.; Sudhakar S.; Athanasiou-Fragkouli A.; Celik T.; Narli N.; Bianca S.; Murphy D.; De Carvalho Moreira F.M.; Hannah M.G.; Bugiardini E.; Kriouile Y.; El Khorassani M.; Aguennouz M.; Groppa S.; Karashova B.M.; Di Rosa G.; Goraya J.S.; Sultan T.; Avdjieva D.; Kathom H.; Tincheva R.; Banu S.; Veggiotti P.; Verrotti A.; Savasta S.; Ruiz A.M.; Garavaglia B.; Borgione E.; Papacostas S.; Compagnoni C.; Piccirilli A.; Vikelis M.; Chelban V.; Kaiyrzhanov R.; Cortese A.; Sullivan R.; Papanicolaou E.Z.; Dardiotis E.; Maqbool S.; Ibrahim S.; Kirmani S.; Rana N.N.; Atawneh O.; Lim S.-Y.; Shaikh F.; Scardamaglia A.; Koutsis G.; Mangano S.; Scuderi C.; Morello G.; Zollo M.; Heimer G.; Striano P.; Al-Khawaja I.; Al-Mutairi F.; Alkuraya F.S.; Rizig M.; Shashkin C.; Zharkynbekova N.; Koneyev K.; Manizha G.; Isrofilov M.; Guliyeva U.; Salayev K.; Khachatryan S.; Xiromerisiou G.; Spanaki C.; Tucci A.; Fiorillo C.; Rissotto F.; Munell F.; Gagliano A.; Jan F.; Chimenz R.; Gitto E.; Cuppari C.; Romeo C.; Magrinelli F.; Gupta N.; Kabra M.; Benrhouma H.; Tazir M.; Zagaroli L.; Caloisi C.; Fabiano C.; Bottone G.; Farello G.; Di Fabio S.; Obeid M.; Bakhtadze S.; Saadi N.W.; Zaki M.S.; Triki C.C.; Kara M.; Belcastro V.; Specchio N.; Karimiani E.G.; Salih A.M.; Ramenghi L.A.; David E.; Curro R.; Iezzi M.L.; Iapadre G.; Nanni G.; Scorrano G.; Fiorile M.F.; Brancati F.; Di Falco G.; Mandara L.; Barrano G.; Elia M.; Terrone G.; Operto F.F.; Valenzise M.; Della Rocca Y.; Zazzeroni F.; Alesse E.; Manti F.; Galosi S.; Nardecchia F.; Leuzzi V.; Pironti E.; Amore G.; Ceravolo G.; Zafar F.; Ullah E.; Afzal E.; Javed I.; Rahman F.; Ahmed M.M.; Parisi P.; Borgia P.; Mangano G.D.; Chiarelli F.; Genomics Q.S.; Andrea Accogli; Petree C.; Huang K.; Monastiri K.; Edizadeh M.; Nardello R.; Ognibene M.; De Marco P.; Ruggieri M.; Zara F.; Sahin Y.; Al-Gazali L.; Abi Warde M.T.; Gerard B.; Zifarelli G.; Beetz C.; Fortuna S.; Soler Bastida M.; Valente E.M.; Varshney G.; Maroofian R.; Salpietro V.; Houlden H. A homozygous MED11 C-terminal variant causes a lethal neurodegenerative disease in GENETICS IN MEDICINE, vol. 24, pp. 2194-2203 (ISSN 1098-3600) DOI - ARCA card: 10278/5106660 |
| 2022 | Journal Article |
Reis P.B.P.S.; Barletta G.P.; Gagliardi L.; Fortuna S.; Soler M.A.; Rocchia W. Antibody-Antigen Binding Interface Analysis in the Big Data Era in FRONTIERS IN MOLECULAR BIOSCIENCES, vol. 9 (ISSN 2296-889X) DOI - ARCA card: 10278/5106661 |
| 2022 | Journal Article |
Borgia P.; Baldassari S.; Pedemonte N.; Alkhunaizi E.; D'Onofrio G.; Tortora D.; Cali E.; Scudieri P.; Balagura G.; Musante I.; Diana M.C.; Pedemonte M.; Vari M.S.; Iacomino M.; Riva A.; Chimenz R.; Mangano G.D.; Mohammadi M.H.; Toosi M.B.; Ashrafzadeh F.; Imannezhad S.; Karimiani E.G.; Accogli A.; Schiaffino M.C.; Maghnie M.; Soler M.A.; Echiverri K.; Abrams C.K.; Striano P.; Fortuna S.; Maroofian R.; Houlden H.; Zara F.; Fiorillo C.; Salpietro V. Genotype–phenotype correlations and disease mechanisms in PEX13-related Zellweger spectrum disorders in ORPHANET JOURNAL OF RARE DISEASES, vol. 17 (ISSN 1750-1172) DOI - ARCA card: 10278/5106678 |
| 2022 | Book Article |
Ochoa R.; Soler M.A.; Gladich I.; Battisti A.; Minovski N.; Rodriguez A.; Fortuna S.; Cossio P.; Laio A. Computational Evolution Protocol for Peptide Design , Methods in Molecular Biology, Humana Press Inc., vol. 2405, pp. 335-359 (ISBN 9781071618547; 9781071618554) (ISSN 1064-3745) DOI - ARCA card: 10278/5106777 |
| 2021 | Journal Article |
Adedeji Olulana A.F.; Soler M.A.; Lotteri M.; Vondracek H.; Casalis L.; Marasco D.; Castronovo M.; Fortuna S. Computational evolution of beta-2-microglubulin binding peptides for nanopatterned surface sensors in INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES, vol. 22, pp. 1-18 (ISSN 1422-0067) DOI - ARCA card: 10278/5106657 |
| 2021 | Journal Article |
Soler M.A.; Medagli B.; Wang J.; Oloketuyi S.; Bajc G.; Huang H.; Fortuna S.; De Marco A. Effect of humanizing mutations on the stability of the llama single-domain variable region in BIOMOLECULES, vol. 11, pp. 1-14 (ISSN 2218-273X) DOI - ARCA card: 10278/5106656 |
| 2021 | Journal Article |
Scafuri N.; Soler M.A.; Spitaleri A.; Rocchia W. Enhanced Molecular Dynamics Method to Efficiently Increase the Discrimination Capability of Computational Protein-Protein Docking in JOURNAL OF CHEMICAL THEORY AND COMPUTATION, vol. 17, pp. 7271-7280 (ISSN 1549-9618) DOI - ARCA card: 10278/5106652 |
| 2021 | Journal Article |
Cristina Cantarutti; M. Cristina Vargas; Cedrix J. Dongmo Foumthuim; Mireille Dumoulin; Sara La Manna; Daniela Marasco; Carlo Santambrogio; Rita Grandori; G Scoles; Miguel Angel Soler; Alessandra Corazza; Sara Fortuna Insights on peptides topology in the computational design of protein ligands: the example of lysozyme binding peptides in PHYSICAL CHEMISTRY CHEMICAL PHYSICS, vol. 23, pp. 23158-23172 (ISSN 1463-9076) DOI - URL correlato - ARCA card: 10278/3745058 |
| 2021 | Journal Article |
Ochoa R.; Soler M.A.; Laio A.; Cossio P. PARCE: Protocol for Amino acid Refinement through Computational Evolution in COMPUTER PHYSICS COMMUNICATIONS, vol. 260 (ISSN 0010-4655) DOI - ARCA card: 10278/5106648 |
| 2021 | Journal Article |
Spitaleri A.; Zia S.R.; Di Micco P.; Al-Lazikani B.; Soler M.A.; Rocchia W. Tuning Local Hydration Enables a Deeper Understanding of Protein-Ligand Binding: The PP1-Src Kinase Case in THE JOURNAL OF PHYSICAL CHEMISTRY LETTERS, vol. 12, pp. 49-58 (ISSN 1948-7185) DOI - ARCA card: 10278/5106685 |
| 2020 | Journal Article |
Huang J.-A.; Mousavi M.Z.; Giovannini G.; Zhao Y.; Hubarevich A.; Soler M.A.; Rocchia W.; Garoli D.; De Angelis F. Multiplexed Discrimination of Single Amino Acid Residues in Polypeptides in a Single SERS Hot Spot in ANGEWANDTE CHEMIE. INTERNATIONAL EDITION, vol. 59, pp. 11423-11431 (ISSN 1433-7851) DOI - ARCA card: 10278/5106343 |
| 2019 | Journal Article |
Soler M.A.; Medagli B.; Semrau M.S.; Storici P.; Bajc G.; De Marco A.; Laio A.; Fortuna S. A consensus protocol for the: In silico optimisation of antibody fragments in CHEMICAL COMMUNICATIONS, vol. 55, pp. 14043-14046 (ISSN 1359-7345) DOI - ARCA card: 10278/5106679 |
| 2019 | Journal Article |
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. AMPA receptor GluA2 subunit defects are a cause of neurodevelopmental disorders in NATURE COMMUNICATIONS, vol. 10 (ISSN 2041-1723) DOI - ARCA card: 10278/5106347 |
| 2018 | Journal Article |
Ochoa R.; Soler M.A.; Laio A.; Cossio P. Assessing the capability of in silico mutation protocols for predicting the finite temperature conformation of amino acids in PHYSICAL CHEMISTRY CHEMICAL PHYSICS, vol. 20, pp. 25901-25909 (ISSN 1463-9076) DOI - ARCA card: 10278/5106682 |
| 2018 | Journal Article |
Soler M.A.; Fortuna S.; De Marco A.; Laio A. Binding affinity prediction of nanobody-protein complexes by scoring of molecular dynamics trajectories in PHYSICAL CHEMISTRY CHEMICAL PHYSICS, vol. 20, pp. 3438-3444 (ISSN 1463-9076) DOI - ARCA card: 10278/5106769 |
| 2017 | Journal Article |
Soler M.A.; Rodriguez A.; Russo A.; Adedeji A.F.; Dongmo Foumthuim C.J.; Cantarutti C.; Ambrosetti E.; Casalis L.; Corazza A.; Scoles G.; Marasco D.; Laio A.; Fortuna S. Computational design of cyclic peptides for the customized oriented immobilization of globular proteins in PHYSICAL CHEMISTRY CHEMICAL PHYSICS, vol. 19, pp. 2740-2748 (ISSN 1463-9076) DOI - URL correlato - ARCA card: 10278/3745091 |
| 2017 | Journal Article |
Soler M.A.; Fortuna S. Influence of Linker Flexibility on the Binding Affinity of Bidentate Binders in JOURNAL OF PHYSICAL CHEMISTRY. B, CONDENSED MATTER, MATERIALS, SURFACES, INTERFACES & BIOPHYSICAL, vol. 121, pp. 3918-3924 (ISSN 1520-6106) DOI - ARCA card: 10278/5106345 |
| 2017 | Journal Article |
Soler M.A.; Zuniga J.; Requena A.; Bastida A. Understanding the connection between conformational changes of peptides and equilibrium thermal fluctuations in PHYSICAL CHEMISTRY CHEMICAL PHYSICS, vol. 19, pp. 3459-3463 (ISSN 1463-9076) DOI - ARCA card: 10278/5106675 |
| 2016 | Journal Article |
Fogolari F.; Dongmo Foumthuim C.J.; Fortuna S.; Soler M.A.; Corazza A.; Esposito G. Accurate Estimation of the Entropy of Rotation-Translation Probability Distributions in JOURNAL OF CHEMICAL THEORY AND COMPUTATION, vol. 12, pp. 1-8 (ISSN 1549-9618) DOI - ARCA card: 10278/3745089 |
| 2016 | Journal Article |
Bastida A.; Zuniga J.; Requena A.; Miguel B.; Candela M.E.; Soler M.A. Conformational Changes of Trialanine in Water Induced by Vibrational Relaxation of the Amide i Mode in JOURNAL OF PHYSICAL CHEMISTRY. B, CONDENSED MATTER, MATERIALS, SURFACES, INTERFACES & BIOPHYSICAL, vol. 120, pp. 348-357 (ISSN 1520-6106) DOI - ARCA card: 10278/5106681 |
| 2016 | Journal Article |
Soler M.A.; De Marco A.; Fortuna S. Molecular dynamics simulations and docking enable to explore the biophysical factors controlling the yields of engineered nanobodies in SCIENTIFIC REPORTS, vol. 6 (ISSN 2045-2322) DOI - ARCA card: 10278/5106674 |
| 2016 | Journal Article |
Soler M.A.; Rey A.; Faisca P.F.N. Steric confinement and enhanced local flexibility assist knotting in simple models of protein folding in PHYSICAL CHEMISTRY CHEMICAL PHYSICS, vol. 18, pp. 26391-26403 (ISSN 1463-9076) DOI - ARCA card: 10278/5106768 |
| 2015 | Journal Article |
Fogolari F.; Corazza A.; Fortuna S.; Soler M.A.; Van Schouwen B.; Brancolini G.; Corni S.; Melacini G.; Esposito G. Distance-based configurational entropy of proteins from molecular dynamics simulations in PLOS ONE, vol. 10 (ISSN 1932-6203) DOI - ARCA card: 10278/5106680 |
| 2014 | Journal Article |
Soler M.A.; Nunes A.; Faisca P.F.N. Effects of knot type in the folding of topologically complex lattice proteins in THE JOURNAL OF CHEMICAL PHYSICS, vol. 141 (ISSN 0021-9606) DOI - ARCA card: 10278/5106684 |
| 2014 | Journal Article |
Soler M.A.; Nelson T.; Roitberg A.E.; Tretiak S.; Fernandez-Alberti S. Signature of nonadiabatic coupling in excited-state vibrational modes in JOURNAL OF PHYSICAL CHEMISTRY. A, MOLECULES, SPECTROSCOPY, KINETICS, ENVIRONMENT, & GENERAL THEORY, vol. 118, pp. 10372-10379 (ISSN 1089-5639) DOI - ARCA card: 10278/5106344 |
| 2013 | Journal Article |
Soler M.A.; Faisca P.F.N. Effects of Knots on Protein Folding Properties in PLOS ONE, vol. 8 (ISSN 1932-6203) DOI - ARCA card: 10278/5106770 |
| 2012 | Journal Article |
Soler M.A.; Roitberg A.E.; Nelson T.; Tretiak S.; Fernandez-Alberti S. Analysis of state-specific vibrations coupled to the unidirectional energy transfer in conjugated dendrimers in JOURNAL OF PHYSICAL CHEMISTRY. A, MOLECULES, SPECTROSCOPY, KINETICS, ENVIRONMENT, & GENERAL THEORY, vol. 116, pp. 9802-9810 (ISSN 1089-5639) DOI - ARCA card: 10278/5106775 |
| 2012 | Journal Article |
Soler M.A.; Faisca P.F.N. How Difficult Is It to Fold a Knotted Protein? In Silico Insights from Surface-Tethered Folding Experiments in PLOS ONE, vol. 7 (ISSN 1932-6203) DOI - ARCA card: 10278/5106346 |
| 2012 | Journal Article |
Bastida A.; Soler M.A.; Zuniga J.; Requena A.; Kalstein A.; Fernandez-Alberti S. Hybrid quantum/classical simulations of the vibrational relaxation of the amide i mode of N -methylacetamide in D2O solution in JOURNAL OF PHYSICAL CHEMISTRY. B, CONDENSED MATTER, MATERIALS, SURFACES, INTERFACES & BIOPHYSICAL, vol. 116, pp. 2969-2980 (ISSN 1520-6106) DOI - ARCA card: 10278/5106774 |
| 2011 | Journal Article |
Soler M.A.; Bastida A.; Farag M.H.; Zuniga J.; Requena A. A method for analyzing the vibrational energy flow in biomolecules in solution in THE JOURNAL OF CHEMICAL PHYSICS, vol. 135 (ISSN 0021-9606) DOI - ARCA card: 10278/5106773 |
| 2011 | Journal Article |
Kalstein A.; Fernandez-Alberti S.; Bastida A.; Soler M.A.; Farag M.H.; Zuniga J.; Requena A. Vibrational dynamics of polyatomic molecules in solution: Assignment, time evolution and mixing of instantaneous normal modes in THEORETICAL CHEMISTRY ACCOUNTS, vol. 128, pp. 769-782 (ISSN 1432-881X) DOI - ARCA card: 10278/5106339 |
| 2010 | Journal Article |
Bastida A.; Soler M.A.; Zuiga 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 in THE JOURNAL OF CHEMICAL PHYSICS, vol. 132 (ISSN 0021-9606) DOI - ARCA card: 10278/5106771 |
| 2010 | Journal Article |
Bastida A.; Soler M.A.; Zuniga J.; Requena A.; Kalstein A.; Fernandez-Alberti S. 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 in JOURNAL OF PHYSICAL CHEMISTRY. A, MOLECULES, SPECTROSCOPY, KINETICS, ENVIRONMENT, & GENERAL THEORY, vol. 114, pp. 11450-11461 (ISSN 1089-5639) DOI - ARCA card: 10278/5106776 |
| 2009 | Journal Article |
Bastida A.; Soler M.A.; Zuniga J.; Requena A.; Miguel B. Efficient parabolic evaluation of coupling terms in hybrid quantum/classical simulations in CHEMICAL PHYSICS, vol. 358, pp. 57-60 (ISSN 0301-0104) DOI - ARCA card: 10278/5106772 |
| 2005 | Journal Article |
Espinosa A.; Frontera A.; Garcia R.; Soler M.A.; Tarraga A. Electrophilic behavior of 3-methyl-2-methylthio-1,3,4-thiadiazolium salts: A multimodal theoretical approach in ARKIVOC, vol. 2005, pp. 415-437 (ISSN 1551-7012) - ARCA card: 10278/5106781 |