Parrinello, Michele

Escaping free-energy minima

Laio, A., & Parrinello, M. (2002) · Proceedings of the National Academy of Sciences

Advanced Physical and Chemical Molecular InteractionsProtein Structure and Dynamics

Cited by 5,626

Generalized Neural-Network Representation of High-Dimensional Potential-Energy Surfaces

Behler, J., & Parrinello, M. (2007) · Physical Review Letters

Machine Learning in Materials ScienceAdvanced Chemical Physics Studies

Cited by 5,010

Well-Tempered Metadynamics: A Smoothly Converging and Tunable Free-Energy Method

Barducci, A., Bussi, G., & Parrinello, M. (2008) · Physical Review Letters

Protein Structure and DynamicsAdvanced Physical and Chemical Molecular Interactions

Cited by 3,184

Assessing the Accuracy of Metadynamics

Laio, A., Rodriguez-Fortea, A., Gervasio, F. L., Ceccarelli, M., & Parrinello, M. (2005) · The Journal of Physical Chemistry B

Advanced Physical and Chemical Molecular InteractionsAdvanced Chemical Physics Studies

Cited by 517

From Metadynamics to Dynamics

Tiwary, P., & Parrinello, M. (2013) · Physical Review Letters

Advanced Physical and Chemical Molecular InteractionsTheoretical and Computational Physics

Cited by 494

Simplifying the representation of complex free-energy landscapes using sketch-map

Ceriotti, M., Tribello, G. A., & Parrinello, M. (2011) · Proceedings of the National Academy of Sciences

Protein Structure and DynamicsModel Reduction and Neural Networks

Cited by 340

Variational Approach to Enhanced Sampling and Free Energy Calculations

Valsson, O., & Parrinello, M. (2014) · Physical Review Letters

Advanced Physical and Chemical Molecular InteractionsMarkov Chains and Monte Carlo Methods

Cited by 336

Two Dimensional Ice Adsorbed on Mica Surface

Odelius, M., Bernasconi, M., & Parrinello, M. (1997) · Physical Review Letters

nanoparticles nucleation surface interactionsChemical and Physical Studies

Cited by 299

Confinement effects and acid strength in zeolites

Grifoni, E., Piccini, G., Lercher, J. A., Glezakou, V.-A., Rousseau, R., & Parrinello, M. (2021) · Nature Communications

Zeolite Catalysis and SynthesisChemical Synthesis and Characterization

Cited by 203

Using sketch-map coordinates to analyze and bias molecular dynamics simulations

Tribello, G. A., Ceriotti, M., & Parrinello, M. (2012) · Proceedings of the National Academy of Sciences

Protein Structure and DynamicsAdvanced Physical and Chemical Molecular Interactions

Cited by 202

Demonstrating the Transferability and the Descriptive Power of Sketch-Map

Ceriotti, M., Tribello, G. A., & Parrinello, M. (2013) · Journal of Chemical Theory and Computation

Model Reduction and Neural NetworksAdvanced Physical and Chemical Molecular Interactions

Cited by 126

The Unfolded Ensemble and Folding Mechanism of the C-Terminal GB1 β-Hairpin

Bonomi, M., Branduardi, D., Gervasio, F. L., & Parrinello, M. (2008) · Journal of the American Chemical Society

Protein Structure and DynamicsChemical Synthesis and Analysis

Cited by 97

Free-energy landscape of protein oligomerization from atomistic simulations

Barducci, A., Bonomi, M., Prakash, M. K., & Parrinello, M. (2013) · Proceedings of the National Academy of Sciences

Protein Structure and DynamicsAdvanced Physical and Chemical Molecular Interactions

Cited by 87

The allosteric communication pathways in KIX domain of CBP

Palazzesi, F., Barducci, A., Tollinger, M., & Parrinello, M. (2013) · Proceedings of the National Academy of Sciences

Protein Structure and DynamicsAdvanced Physical and Chemical Molecular Interactions

Cited by 62