| Year |
Citation |
Score |
| 2024 |
Scantamburlo F, Masgras I, Ciscato F, Laquatra C, Frigerio F, Cinquini F, Pavoni S, Triveri A, Frasnetti E, Serapian SA, Colombo G, Rasola A, Moroni E. Design and Test of Molecules that Interfere with the Recognition Mechanisms between the SARS-CoV-2 Spike Protein and Its Host Cell Receptors. Journal of Chemical Information and Modeling. 64: 8274-8282. PMID 39440601 DOI: 10.1021/acs.jcim.4c01511 |
0.697 |
|
| 2024 |
Roychowdhury T, McNutt SW, Pasala C, Nguyen HT, Thornton DT, Sharma S, Botticelli L, Digwal CS, Joshi S, Yang N, Panchal P, Chakrabarty S, Bay S, Markov V, Kwong C, ... ... Colombo G, et al. Phosphorylation-driven epichaperome assembly is a regulator of cellular adaptability and proliferation. Nature Communications. 15: 8912. PMID 39414766 DOI: 10.1038/s41467-024-53178-5 |
0.322 |
|
| 2024 |
Frasnetti E, Cucchi I, Pavoni S, Frigerio F, Cinquini F, Serapian SA, Pavarino LF, Colombo G. Integrating Molecular Dynamics and Machine Learning Algorithms to Predict the Functional Profile of Kinase Ligands. Journal of Chemical Theory and Computation. PMID 39387368 DOI: 10.1021/acs.jctc.4c01097 |
0.72 |
|
| 2024 |
Guarra F, Sciva C, Bonollo G, Pasala C, Chiosis G, Moroni E, Colombo G. Cracking the chaperone code through the computational microscope. Cell Stress & Chaperones. 29: 626-640. PMID 39142378 DOI: 10.1016/j.cstres.2024.08.001 |
0.343 |
|
| 2024 |
Rinaldi S, Colombo G, Morra G. Exploring Mutation-Driven Changes in the ATP-ADP Conformational Cycle of Human Hsp70 by All-Atom MD Adaptive Sampling. The Journal of Physical Chemistry. B. 128: 7770-7780. PMID 39091167 DOI: 10.1021/acs.jpcb.4c03603 |
0.338 |
|
| 2024 |
Magni A, Sciva C, Castelli M, Digwal CS, Rodina A, Sharma S, Ochiana S, Patel H, Shah S, Chiosis G, Moroni E, Colombo G. N-Glycosylation-induced pathologic protein conformations as a tool to guide the selection of biologically active small molecules. Chemistry (Weinheim An Der Bergstrasse, Germany). e202401957. PMID 39042517 DOI: 10.1002/chem.202401957 |
0.337 |
|
| 2024 |
Guarra F, Colombo G. Conformational dynamics, energetics, and the divergent evolution of allosteric regulation: the case of the yeast MAPK family. Chembiochem : a European Journal of Chemical Biology. e202400175. PMID 38775368 DOI: 10.1002/cbic.202400175 |
0.328 |
|
| 2024 |
Frasnetti E, Magni A, Castelli M, Serapian SA, Moroni E, Colombo G. Structures, dynamics, complexes, and functions: From classic computation to artificial intelligence. Current Opinion in Structural Biology. 87: 102835. PMID 38744148 DOI: 10.1016/j.sbi.2024.102835 |
0.72 |
|
| 2024 |
Chiosis G, McNutt S, Roychowdhury T, Pasala C, Nguyen H, Thorton D, Sharma S, Boticelli L, Digwal C, Joshi S, Yang N, Panchal P, Chakrabarty S, Bay S, Markov V, ... ... Colombo G, et al. Phosphorylation-Driven Epichaperome Assembly: A Critical Regulator of Cellular Adaptability and Proliferation. Research Square. PMID 38645031 DOI: 10.21203/rs.3.rs-4114038/v1 |
0.34 |
|
| 2024 |
Pasala C, Sharma S, Roychowdhury T, Moroni E, Colombo G, Chiosis G. N-Glycosylation as a Modulator of Protein Conformation and Assembly in Disease. Biomolecules. 14. PMID 38540703 DOI: 10.3390/biom14030282 |
0.318 |
|
| 2023 |
Castelli M, Magni A, Bonollo G, Pavoni S, Frigerio F, Oliveira ASF, Cinquini F, Serapian SA, Colombo G. Molecular Mechanisms of Chaperone Directed Protein Folding: Insights from Atomistic Simulations. Protein Science : a Publication of the Protein Society. e4880. PMID 38145386 DOI: 10.1002/pro.4880 |
0.73 |
|
| 2023 |
Castelli M, Marchetti F, Osuna S, F Oliveira AS, Mulholland AJ, Serapian SA, Colombo G. Decrypting Allostery in Membrane-Bound K-Ras4B Using Complementary Approaches Based on Unbiased Molecular Dynamics Simulations. Journal of the American Chemical Society. 146: 901-919. PMID 38116743 DOI: 10.1021/jacs.3c11396 |
0.692 |
|
| 2023 |
Casali E, Serapian SA, Gianquinto E, Castelli M, Bertinaria M, Spyrakis F, Colombo G. NLRP3 monomer functional dynamics: From the effects of allosteric binding to implications for drug design. International Journal of Biological Macromolecules. 246: 125609. PMID 37394218 DOI: 10.1016/j.ijbiomac.2023.125609 |
0.725 |
|
| 2023 |
Castelli M, Yan P, Rodina A, Digwal CS, Panchal P, Chiosis G, Moroni E, Colombo G. How aberrant N-glycosylation can alter protein functionality and ligand binding: An atomistic view. Structure (London, England : 1993). PMID 37343552 DOI: 10.1016/j.str.2023.05.017 |
0.414 |
|
| 2023 |
Triveri A, Casali E, Frasnetti E, Doria F, Frigerio F, Cinquini F, Pavoni S, Moroni E, Marchetti F, Serapian SA, Colombo G. Conformational Behavior of SARS-Cov-2 Spike Protein Variants: Evolutionary Jumps in Sequence Reverberate in Structural Dynamic Differences. Journal of Chemical Theory and Computation. PMID 36926878 DOI: 10.1021/acs.jctc.3c00077 |
0.726 |
|
| 2022 |
Torielli L, Serapian SA, Mussolin L, Moroni E, Colombo G. Integrating Protein Interaction Surface Prediction with a Fragment-Based Drug Design: Automatic Design of New Leads with Fragments on Energy Surfaces. Journal of Chemical Information and Modeling. 63: 343-353. PMID 36574607 DOI: 10.1021/acs.jcim.2c01408 |
0.734 |
|
| 2022 |
Castelli M, Bhattacharya K, Abboud E, Serapian SA, Picard D, Colombo G. Phosphorylation of the Hsp90 Co-Chaperone Hop Changes its Conformational Dynamics and Biological Function. Journal of Molecular Biology. 435: 167931. PMID 36572238 DOI: 10.1016/j.jmb.2022.167931 |
0.725 |
|
| 2022 |
Capelli R, Serapian SA, Colombo G. Computational Epitope Prediction and Design for Antibody Development and Detection. Methods in Molecular Biology (Clifton, N.J.). 2552: 255-266. PMID 36346596 DOI: 10.1007/978-1-0716-2609-2_13 |
0.77 |
|
| 2022 |
Scietti L, Moroni E, Mattoteia D, Fumagalli M, De Marco M, Negro L, Chiapparino A, Serapian SA, De Giorgi F, Faravelli S, Colombo G, Forneris F. A Fe-dependent self-inhibited state influences the druggability of human collagen lysyl hydroxylase (LH/PLOD) enzymes. Frontiers in Molecular Biosciences. 9: 876352. PMID 36090047 DOI: 10.3389/fmolb.2022.876352 |
0.657 |
|
| 2022 |
Bitonti A, Puglisi R, Meli M, Martin SR, Colombo G, Temussi PA, Pastore A. Recipes for Inducing Cold Denaturation in an Otherwise Stable Protein. Journal of the American Chemical Society. PMID 35427450 DOI: 10.1021/jacs.1c13355 |
0.307 |
|
| 2022 |
Triveri A, Sanchez-Martin C, Torielli L, Serapian SA, Marchetti F, D'Acerno G, Pirota V, Castelli M, Moroni E, Ferraro M, Quadrelli P, Rasola A, Colombo G. Protein Allostery and Ligand Design: Computational Design Meets Experiments to Discover Novel Chemical Probes. Journal of Molecular Biology. 167468. PMID 35101454 DOI: 10.1016/j.jmb.2022.167468 |
0.721 |
|
| 2021 |
Castelli M, Serapian SA, Marchetti F, Triveri A, Pirota V, Torielli L, Collina S, Doria F, Freccero M, Colombo G. New perspectives in cancer drug development: computational advances with an eye to design. Rsc Medicinal Chemistry. 12: 1491-1502. PMID 34671733 DOI: 10.1039/d1md00192b |
0.688 |
|
| 2021 |
Triveri A, Serapian SA, Marchetti F, Doria F, Pavoni S, Cinquini F, Moroni E, Rasola A, Frigerio F, Colombo G. SARS-CoV-2 Spike Protein Mutations and Escape from Antibodies: A Computational Model of Epitope Loss in Variants of Concern. Journal of Chemical Information and Modeling. 61: 4687-4700. PMID 34468141 DOI: 10.1021/acs.jcim.1c00857 |
0.732 |
|
| 2021 |
Woodford MR, Baker-Williams AJ, Sager RA, Backe SJ, Blanden AR, Hashmi F, Kancherla P, Gori A, Loiselle DR, Castelli M, Serapian SA, Colombo G, Haystead TA, Jensen SM, Stetler-Stevenson WG, et al. The tumor suppressor folliculin inhibits lactate dehydrogenase A and regulates the Warburg effect. Nature Structural & Molecular Biology. 28: 662-670. PMID 34381247 DOI: 10.1038/s41594-021-00633-2 |
0.665 |
|
| 2021 |
Masgras I, Laquatra C, Cannino G, Serapian SA, Colombo G, Rasola A. The molecular chaperone TRAP1 in cancer: From the basics of biology to pharmacological targeting. Seminars in Cancer Biology. 76: 45-53. PMID 34242740 DOI: 10.1016/j.semcancer.2021.07.002 |
0.686 |
|
| 2021 |
Serapian SA, Sanchez-Martín C, Moroni E, Rasola A, Colombo G. Targeting the mitochondrial chaperone TRAP1: strategies and therapeutic perspectives. Trends in Pharmacological Sciences. 42: 566-576. PMID 33992469 DOI: 10.1016/j.tips.2021.04.003 |
0.697 |
|
| 2021 |
Serapian SA, Colombo G. Bow to the enemy: How flexibility of host protein receptors can favor SARS-CoV-2. Biophysical Journal. 120: 977-979. PMID 33577761 DOI: 10.1016/j.bpj.2021.01.029 |
0.679 |
|
| 2021 |
Serapian SA, Triveri A, Marchetti F, Castelli M, Colombo G. Exploiting Folding and Degradation Machineries To Target Undruggable Proteins: What Can a Computational Approach Tell Us? Chemmedchem. 16: 1593-1599. PMID 33443306 DOI: 10.1002/cmdc.202000960 |
0.738 |
|
| 2020 |
D'Annessa I, Moroni E, Colombo G. Visualizing the Dynamics of a Protein Folding Machinery: The Mechanism of Asymmetric ATP Processing in Hsp90 and its Implications for Client Remodelling. Journal of Molecular Biology. 433: 166728. PMID 33275968 DOI: 10.1016/j.jmb.2020.166728 |
0.312 |
|
| 2020 |
Serapian SA, Marchetti F, Triveri A, Morra G, Meli M, Moroni E, Sautto GA, Rasola A, Colombo G. The Answer Lies in the Energy: How Simple Atomistic Molecular Dynamics Simulations May Hold the Key to Epitope Prediction on the Fully Glycosylated SARS-CoV-2 Spike Protein. The Journal of Physical Chemistry Letters. 11: 8084-8093. PMID 32885971 DOI: 10.1021/acs.jpclett.0c02341 |
0.73 |
|
| 2020 |
Sanchez-Martin C, Serapian SA, Colombo G, Rasola A. Dynamically Shaping Chaperones. Allosteric Modulators of HSP90 Family as Regulatory Tools of Cell Metabolism in Neoplastic Progression. Frontiers in Oncology. 10: 1177. PMID 32766157 DOI: 10.3389/fonc.2020.01177 |
0.723 |
|
| 2020 |
Meli M, Morra G, Colombo G. Simple Model of Protein Energetics To Identify Ab Initio Folding Transitions from All-Atom MD Simulations of Proteins. Journal of Chemical Theory and Computation. 16: 5960-5971. PMID 32693598 DOI: 10.1021/acs.jctc.0c00524 |
0.34 |
|
| 2020 |
Colombo G, Paladino A, Woodford MR, Backe SJ, Sager RA, Kancherla P, Daneshvar MA, Chen VZ, Ahanin EF, Bourboulia D, Prodromou C, Bergamaschi G, Strada A, Cretich M, Gori A, et al. Chemical Perturbation of Oncogenic Protein Folding: from the Prediction of Locally Unstable Structures to the Design of Disruptors of Hsp90-Client Interactions. Chemistry (Weinheim An Der Bergstrasse, Germany). PMID 32167602 DOI: 10.1002/Chem.202000615 |
0.733 |
|
| 2020 |
Rinaldi S, Colombo G, Paladino A. Mechanistic Model for the Hsp90-Driven Opening of Human Argonaute. Journal of Chemical Information and Modeling. 60: 1469-1480. PMID 32096993 DOI: 10.1021/acs.jcim.0c00053 |
0.341 |
|
| 2020 |
D'Annessa I, Hurwitz N, Pirota V, Beretta GL, Tinelli S, Woodford M, Freccero M, Mollapour M, Zaffaroni N, Wolfson H, Colombo G. Design of Disruptors of the Hsp90-Cdc37 Interface. Molecules (Basel, Switzerland). 25. PMID 31952296 DOI: 10.3390/molecules25020360 |
0.34 |
|
| 2020 |
Serapian SA, Colombo G. Designing Molecular Spanners to Throw in the Protein Networks. Chemistry (Weinheim An Der Bergstrasse, Germany). 26: 4656-4670. PMID 31746512 DOI: 10.1002/chem.201904523 |
0.738 |
|
| 2019 |
D'Annessa I, Raniolo S, Limongelli V, Di Marino D, Colombo G. Ligand Binding, Unbinding, and Allosteric Effects: Deciphering Small-Molecule Modulation of HSP90. Journal of Chemical Theory and Computation. 15: 6368-6381. PMID 31538783 DOI: 10.1021/acs.jctc.9b00319 |
0.325 |
|
| 2019 |
Montefiori M, Pilotto S, Marabelli C, Moroni E, Ferraro M, Serapian SA, Mattevi A, Colombo G. Impact of Mutations on NPAC Structural Dynamics: Mechanistic Insights from MD Simulations. Journal of Chemical Information and Modeling. PMID 31408337 DOI: 10.1021/Acs.Jcim.9B00588 |
0.718 |
|
| 2019 |
Bergamaschi G, Fassi EMA, Romanato A, D'Annessa I, Odinolfi MT, Brambilla D, Damin F, Chiari M, Gori A, Colombo G, Cretich M. Computational Analysis of Dengue Virus Envelope Protein (E) Reveals an Epitope with Flavivirus Immunodiagnostic Potential in Peptide Microarrays. International Journal of Molecular Sciences. 20. PMID 31003530 DOI: 10.3390/Ijms20081921 |
0.305 |
|
| 2019 |
Marchetti F, Capelli R, Rizzato F, Laio A, Colombo G. The Subtle Trade-Off between Evolutionary and Energetic Constraints in Protein-Protein Interactions. The Journal of Physical Chemistry Letters. 1489-1497. PMID 30855965 DOI: 10.1021/Acs.Jpclett.9B00191 |
0.729 |
|
| 2019 |
Paladino A, Civera M, Curnis F, Paolillo M, Gennari C, Piarulli U, Corti A, Belvisi L, Colombo G. The Importance of Detail: How Differences in Ligand Structures Determine Distinct Functional Responses in Integrin α β. Chemistry (Weinheim An Der Bergstrasse, Germany). 25: 5959-5970. PMID 30811704 DOI: 10.1002/chem.201900169 |
0.304 |
|
| 2018 |
Capelli R, Peri C, Villa R, Nithichanon A, Conchillo-Solé O, Yero D, Gagni P, Chiari M, Lertmemongkolchai G, Cretich M, Daura X, Bolognesi M, Colombo G, Gourlay LJ. BPSL1626: Reverse and Structural Vaccinology Reveal a Novel Candidate for Vaccine Design against . Antibodies (Basel, Switzerland). 7. PMID 31544878 DOI: 10.3390/antib7030026 |
0.692 |
|
| 2018 |
Rinaldi S, Assimon VA, Young ZT, Morra G, Shao H, Taylor IR, Gestwicki JE, Colombo G. A Local Allosteric Network in Heat Shock Protein 70 (Hsp70) Links Inhibitor Binding to Enzyme Activity and Distal Protein-Protein Interactions. Acs Chemical Biology. PMID 30372610 DOI: 10.1021/Acschembio.8B00712 |
0.326 |
|
| 2018 |
Morra G, Meli M, Colombo G. How the ligand-induced reorganization of protein internal energies is coupled to conformational events. Journal of Chemical Theory and Computation. PMID 30281309 DOI: 10.1021/acs.jctc.8b00195 |
0.361 |
|
| 2018 |
Ferraro M, Colombo G. Targeting Difficult Protein-Protein Interactions with Plain and General Computational Approaches. Molecules (Basel, Switzerland). 23. PMID 30181519 DOI: 10.3390/molecules23092256 |
0.406 |
|
| 2018 |
Sola L, Gagni P, D'Annessa I, Capelli R, Bertino C, Romanato A, Damin F, Bergamaschi G, Marchisio E, Cuzzocrea A, Bombaci M, Grifantini R, Chiari M, Colombo G, Gori A, et al. Enhancing Antibody Serodiagnosis Using a Controlled Peptide Coimmobilization Strategy. Acs Infectious Diseases. 4: 998-1006. PMID 29570266 DOI: 10.1021/acsinfecdis.8b00014 |
0.688 |
|
| 2018 |
Moroni E, Agard DA, Colombo G. The Structural Asymmetry of Mitochondrial Hsp90 (Trap1) Determines Fine Tuning of Functional Dynamics. Journal of Chemical Theory and Computation. PMID 29320629 DOI: 10.1021/Acs.Jctc.7B00766 |
0.314 |
|
| 2018 |
Paladino A, Marchetti F, Ponzoni L, Colombo G. The Interplay between Structural Stability and Plasticity Determines Mutation Profiles and Chaperone Dependence in Protein Kinases. Journal of Chemical Theory and Computation. 14: 1059-1070. PMID 29262682 DOI: 10.1021/acs.jctc.7b00997 |
0.319 |
|
| 2017 |
Capelli R, Matterazzo E, Amabili M, Peri C, Gori A, Gagni P, Chiari M, Lertmemongkolchai G, Cretich M, Bolognesi M, Colombo G, Gourlay LJ. Designing Probes for Immunodiagnostics: Structural Insights into an Epitope Targeting Burkholderia Infections. Acs Infectious Diseases. PMID 28707874 DOI: 10.1021/acsinfecdis.7b00080 |
0.693 |
|
| 2017 |
Rinaldi S, Gori A, Annovazzi C, Ferrandi EE, Monti D, Colombo G. Unraveling Energy and Dynamics Determinants to Interpret Protein Functional Plasticity: The Limonene-1,2-epoxide-hydrolase Case Study. Journal of Chemical Information and Modeling. 57: 717-725. PMID 28298080 DOI: 10.1021/acs.jcim.6b00504 |
0.339 |
|
| 2017 |
Paladino A, Civera M, Belvisi L, Colombo G. High Affinity vs. Native Fibronectin in the Modulation of αvβ3 Integrin Conformational Dynamics: Insights from Computational Analyses and Implications for Molecular Design. Plos Computational Biology. 13: e1005334. PMID 28114375 DOI: 10.1371/journal.pcbi.1005334 |
0.301 |
|
| 2016 |
Capelli R, Marchetti F, Tiana G, Colombo G. SAGE: A Fast Computational Tool for Linear Epitope Grafting onto a Foreign Protein Scaffold. Journal of Chemical Information and Modeling. 57: 6-10. PMID 27992203 DOI: 10.1021/acs.jcim.6b00584 |
0.781 |
|
| 2016 |
Villemot F, Capelli R, Colombo G, van der Vaart A. Balancing Accuracy and Cost of Confinement Simulations by Interpolation and Extrapolation of Confinement Energies. Journal of Chemical Theory and Computation. 12: 2779-89. PMID 27120438 DOI: 10.1021/acs.jctc.5b01183 |
0.654 |
|
| 2016 |
Peri C, Morra G, Colombo G. Surface energetics and protein-protein interactions: analysis and mechanistic implications. Scientific Reports. 6: 24035. PMID 27050828 DOI: 10.1038/srep24035 |
0.375 |
|
| 2016 |
Vettoretti G, Moroni E, Sattin S, Tao J, Agard DA, Bernardi A, Colombo G. Molecular Dynamics Simulations Reveal the Mechanisms of Allosteric Activation of Hsp90 by Designed Ligands. Scientific Reports. 6: 23830. PMID 27032695 DOI: 10.1038/Srep23830 |
0.378 |
|
| 2016 |
Capelli R, Villemot F, Moroni E, Tiana G, van der Vaart A, Colombo G. Assessment of Mutational Effects on Peptide Stability through Confinement Simulations. The Journal of Physical Chemistry Letters. 7: 126-30. PMID 26678679 DOI: 10.1021/acs.jpclett.5b02221 |
0.766 |
|
| 2016 |
Moroni E, Paladino A, Colombo G. The Dynamics of Drug Discovery. Current Topics in Medicinal Chemistry. 15: 2043-55. PMID 26156197 |
0.355 |
|
| 2015 |
Sattin S, Tao J, Vettoretti G, Moroni E, Pennati M, Lopergolo A, Morelli L, Bugatti A, Zuehlke A, Moses M, Prince T, Kijima T, Beebe K, Rusnati M, Neckers L, ... ... Colombo G, et al. Activation of Hsp90 Enzymatic Activity and Conformational Dynamics through Rationally Designed Allosteric Ligands. Chemistry (Weinheim An Der Bergstrasse, Germany). 21: 13598-608. PMID 26286886 DOI: 10.1002/Chem.201502211 |
0.32 |
|
| 2015 |
Paladino A, Morra G, Colombo G. Structural Stability and Flexibility Direct the Selection of Activating Mutations in Epidermal Growth Factor Receptor Kinase. Journal of Chemical Information and Modeling. 55: 1377-87. PMID 26121158 DOI: 10.1021/acs.jcim.5b00270 |
0.302 |
|
| 2015 |
Moroni E, Paladino A, Colombo G. The Dynamics of Drug Discovery. Current Topics in Medicinal Chemistry. PMID 25986688 |
0.355 |
|
| 2015 |
Gourlay LJ, Thomas RJ, Peri C, Conchillo-Solé O, Ferrer-Navarro M, Nithichanon A, Vila J, Daura X, Lertmemongkolchai G, Titball R, Colombo G, Bolognesi M. From crystal structure to in silico epitope discovery in the Burkholderia pseudomallei flagellar hook-associated protein FlgK. The Febs Journal. 282: 1319-33. PMID 25645451 DOI: 10.1111/febs.13223 |
0.305 |
|
| 2014 |
Morra G, Genoni A, Colombo G. Mechanisms of Differential Allosteric Modulation in Homologous Proteins: Insights from the Analysis of Internal Dynamics and Energetics of PDZ Domains. Journal of Chemical Theory and Computation. 10: 5677-89. PMID 26583250 DOI: 10.1021/ct500326g |
0.334 |
|
| 2014 |
Meli M, Pagano K, Ragona L, Colombo G. Investigating the dynamic aspects of drug-protein recognition through a combination of MD and NMR analyses: implications for the development of protein-protein interaction inhibitors. Plos One. 9: e97153. PMID 24865844 DOI: 10.1371/journal.pone.0097153 |
0.374 |
|
| 2014 |
Moroni E, Zhao H, Blagg BS, Colombo G. Exploiting conformational dynamics in drug discovery: design of C-terminal inhibitors of Hsp90 with improved activities. Journal of Chemical Information and Modeling. 54: 195-208. PMID 24397468 DOI: 10.1021/Ci4005767 |
0.308 |
|
| 2013 |
Corrada D, Morra G, Colombo G. Investigating allostery in molecular recognition: insights from a computational study of multiple antibody-antigen complexes. The Journal of Physical Chemistry. B. 117: 535-52. PMID 23240736 DOI: 10.1021/jp310753z |
0.301 |
|
| 2012 |
Moroni E, Morra G, Colombo G. Molecular dynamics simulations of hsp90 with an eye to inhibitor design. Pharmaceuticals (Basel, Switzerland). 5: 944-62. PMID 24280699 DOI: 10.3390/ph5090944 |
0.356 |
|
| 2012 |
Chiappori F, Merelli I, Colombo G, Milanesi L, Morra G. Molecular mechanism of allosteric communication in Hsp70 revealed by molecular dynamics simulations. Plos Computational Biology. 8: e1002844. PMID 23300424 DOI: 10.1371/journal.pcbi.1002844 |
0.314 |
|
| 2012 |
Peri C, Gagni P, Combi F, Gori A, Chiari M, Longhi R, Cretich M, Colombo G. Rational epitope design for protein targeting. Acs Chemical Biology. 8: 397-404. PMID 23138758 DOI: 10.1021/cb300487u |
0.401 |
|
| 2012 |
Morra G, Potestio R, Micheletti C, Colombo G. Corresponding functional dynamics across the Hsp90 Chaperone family: insights from a multiscale analysis of MD simulations. Plos Computational Biology. 8: e1002433. PMID 22457611 DOI: 10.1371/journal.pcbi.1002433 |
0.323 |
|
| 2012 |
Genoni A, Morra G, Colombo G. Identification of domains in protein structures from the analysis of intramolecular interactions. The Journal of Physical Chemistry. B. 116: 3331-43. PMID 22384792 DOI: 10.1021/jp210568a |
0.322 |
|
| 2011 |
Mollica L, Morra G, Colombo G, Musco G. HMGB1-carbenoxolone interactions: dynamics insights from combined nuclear magnetic resonance and molecular dynamics. Chemistry, An Asian Journal. 6: 1171-80. PMID 21294273 DOI: 10.1002/asia.201000726 |
0.308 |
|
| 2011 |
Tomaselli S, Meli M, Plescia J, Zetta L, Altieri DC, Colombo G, Ragona L. Combined in silico and experimental approach for drug design: the binding mode of peptidic and non-peptidic inhibitors to hsp90 N-terminal domain. Chemical Biology & Drug Design. 76: 382-91. PMID 20925690 DOI: 10.1111/j.1747-0285.2010.01015.x |
0.306 |
|
| 2010 |
Morra G, Neves MA, Plescia CJ, Tsustsumi S, Neckers L, Verkhivker G, Altieri DC, Colombo G. Dynamics-Based Discovery of Allosteric Inhibitors: Selection of New Ligands for the C-terminal Domain of Hsp90. Journal of Chemical Theory and Computation. 6: 2978-89. PMID 26616092 DOI: 10.1021/ct100334n |
0.34 |
|
| 2010 |
Scarabelli G, Morra G, Colombo G. Predicting interaction sites from the energetics of isolated proteins: a new approach to epitope mapping. Biophysical Journal. 98: 1966-75. PMID 20441761 DOI: 10.1016/j.bpj.2010.01.014 |
0.36 |
|
| 2010 |
Morra G, Genoni A, Neves MA, Merz KM, Colombo G. Molecular recognition and drug-lead identification: what can molecular simulations tell us? Current Medicinal Chemistry. 17: 25-41. PMID 19941480 DOI: 10.2174/092986710789957797 |
0.397 |
|
| 2010 |
Verkhivker GM, Dixit A, Morra G, Colombo G. Structural and computational biology of the molecular chaperone Hsp90: from understanding molecular mechanisms to computer-based inhibitor design. Current Topics in Medicinal Chemistry. 9: 1369-85. PMID 19860735 DOI: 10.2174/156802609789895700 |
0.359 |
|
| 2009 |
Morra G, Verkhivker G, Colombo G. Modeling signal propagation mechanisms and ligand-based conformational dynamics of the Hsp90 molecular chaperone full-length dimer. Plos Computational Biology. 5: e1000323. PMID 19300478 DOI: 10.1371/journal.pcbi.1000323 |
0.31 |
|
| 2008 |
Colombo G, Morra G, Meli M, Verkhivker G. Understanding ligand-based modulation of the Hsp90 molecular chaperone dynamics at atomic resolution. Proceedings of the National Academy of Sciences of the United States of America. 105: 7976-81. PMID 18511558 DOI: 10.1073/pnas.0802879105 |
0.346 |
|
| 2008 |
Morra G, Meli M, Colombo G. Molecular dynamics simulations of proteins and peptides: from folding to drug design. Current Protein & Peptide Science. 9: 181-96. PMID 18393887 DOI: 10.2174/138920308783955234 |
0.304 |
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| 2008 |
Morra G, Colombo G. Relationship between energy distribution and fold stability: Insights from molecular dynamics simulations of native and mutant proteins Proteins: Structure, Function and Genetics. 72: 660-672. PMID 18247351 DOI: 10.1002/prot.21963 |
0.369 |
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| 2007 |
Meli M, Pennati M, Curto M, Daidone MG, Plescia J, Toba S, Altieri DC, Zaffaroni N, Colombo G. Small-molecule targeting of heat shock protein 90 chaperone function: rational identification of a new anticancer lead. Journal of Medicinal Chemistry. 49: 7721-30. PMID 17181154 DOI: 10.1021/jm060836y |
0.323 |
|
| 2006 |
Colacino S, Tiana G, Colombo G. Similar folds with different stabilization mechanisms: the cases of Prion and Doppel proteins. Bmc Structural Biology. 6: 17. PMID 16857062 DOI: 10.1186/1472-6807-6-17 |
0.676 |
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| 2006 |
Colacino S, Tiana G, Broglia RA, Colombo G. The determinants of stability in the human prion protein: insights into folding and misfolding from the analysis of the change in the stabilization energy distribution in different conditions. Proteins. 62: 698-707. PMID 16432880 DOI: 10.1002/prot.20804 |
0.667 |
|
| 2004 |
Simona F, Tiana G, Broglia RA, Colombo G. Modeling the alpha-helix to beta-hairpin transition mechanism and the formation of oligomeric aggregates of the fibrillogenic peptide Abeta(12-28): insights from all-atom molecular dynamics simulations. Journal of Molecular Graphics & Modelling. 23: 263-73. PMID 15530822 DOI: 10.1016/j.jmgm.2004.07.004 |
0.635 |
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| 2004 |
Daidone I, Simona F, Roccatano D, Broglia RA, Tiana G, Colombo G, Di Nola A. Beta-hairpin conformation of fibrillogenic peptides: structure and alpha-beta transition mechanism revealed by molecular dynamics simulations. Proteins. 57: 198-204. PMID 15326604 DOI: 10.1002/Prot.20178 |
0.646 |
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| 2004 |
Tiana G, Simona F, De Mori GM, Broglia RA, Colombo G. Understanding the determinants of stability and folding of small globular proteins from their energetics. Protein Science : a Publication of the Protein Society. 13: 113-24. PMID 14691227 DOI: 10.1110/ps.03223804 |
0.692 |
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