Carla Molteni

Publication Activity (10 Years)

Years Active: 2017-2022
Publications (10 Years): 14

Top Topics

Molecular Dynamics Simulations

Density Functional Theory

High Resolution

Top Venues

The Journal of chemical physics

Physical chemistry chemical physics : PCCP

This page only lists publications with an associated author ORCID identifier.

Publications

Kang Wang, Carla Molteni, Peter D Haynes
Localized Soft Vibrational Modes and Coherent Structural Phase Transformations in Rutile TiO 2 Nanoparticles under Negative Pressure. Nano letters 22 (14) (2022)
Magd Badaoui, Pedro J Buigues, Dénes Berta, Gaurav M Mandana, Hankang Gu, Tamás Földes, Callum J Dickson, Viktor Hornak, Mitsunori Kato, Carla Molteni, Simon Parsons, Edina Rosta
Combined Free-Energy Calculation and Machine Learning Methods for Understanding Ligand Unbinding Kinetics. Journal of chemical theory and computation 18 (4) (2022)
Jihong Shi, Maxwell Fulford, Hui Li, Mariam Marzook, Maryam Reisjalali, Matteo Salvalaglio, Carla Molteni
Investigating the quasi-liquid layer on ice surfaces: a comparison of order parameters. Physical chemistry chemical physics : PCCP 24 (20) (2022)
Aurimas Vyšniauskas, Bethan Cornell, Peter S Sherin, Karolina Maleckaitė, Markéta Kubánková, Maria Angeles Izquierdo, Thanh Truc Vu, Yulia A Volkova, Ekaterina M Budynina, Carla Molteni, Marina K Kuimova
Cyclopropyl Substituents Transform the Viscosity-Sensitive BODIPY Molecular Rotor into a Temperature Sensor. ACS sensors 6 (6) (2021)
Alessandro Crnjar, Carla Molteni
Cholesterol content in the membrane promotes key lipid-protein interactions in a pentameric serotonin-gated ion channel. Biointerphases 15 (6) (2021)
Federico Rossi, Alessandro Crnjar, Federico Comitani, Rodrigo Feliciano, Leonie Jahn, George Malim, Laura Southgate, Emily Kay, Rebecca J Oakey, Richard Buggs, Andy Moir, Logan Kistler, Ana Rodriguez Mateos, Carla Molteni, Reiner Schulz
Extraction and high-throughput sequencing of oak heartwood DNA: Assessing the feasibility of genome-wide DNA methylation profiling. PloS one 16 (11) (2021)
Alba Nin-Hill, Nicolas Pierre Friedrich Mueller, Carla Molteni, Carme Rovira, Mercedes Alfonso-Prieto
Photopharmacology of Ion Channels through the Light of the Computational Microscope. International journal of molecular sciences 22 (21) (2021)
I Emilie Steinmark, Pei-Hua Chung, Robert M Ziolek, Bethan Cornell, Paul Smith, James A Levitt, Carolyn Tregidgo, Carla Molteni, Gokhan Yahioglu, Christian D Lorenz, Klaus Suhling
Time-Resolved Fluorescence Anisotropy of a Molecular Rotor Resolves Microscopic Viscosity Parameters in Complex Environments. Small (Weinheim an der Bergstrasse, Germany) 16 (22) (2020)
Alessandro Crnjar, Federico Comitani, William Hester, Carla Molteni
Trans- Cis Proline Switches in a Pentameric Ligand-Gated Ion Channel: How They Are Affected by and How They Affect the Biomolecular Environment. The journal of physical chemistry letters 10 (3) (2019)
Maxwell Fulford, Matteo Salvalaglio, Carla Molteni
DeepIce: A Deep Neural Network Approach To Identify Ice and Water Molecules. Journal of chemical information and modeling 59 (5) (2019)
Alessandro Crnjar, Federico Comitani, Claudio Melis, Carla Molteni
Mutagenesis computer experiments in pentameric ligand-gated ion channels: the role of simulation tools with different resolution. Interface focus 9 (3) (2019)
Magd Badaoui, Adam Kells, Carla Molteni, Callum J Dickson, Viktor Hornak, Edina Rosta
Calculating Kinetic Rates and Membrane Permeability from Biased Simulations. The journal of physical chemistry. B 122 (49) (2018)
Federico Comitani, Kevin Rossi, Michele Ceriotti, M Eugenia Sanz, Carla Molteni
Mapping the conformational free energy of aspartic acid in the gas phase and in aqueous solution. The Journal of chemical physics 146 (14) (2018)
Niccolò R C Corsini, Nicholas D M Hine, Peter D Haynes, Carla Molteni
Unravelling the Roles of Size, Ligands, and Pressure in the Piezochromic Properties of CdS Nanocrystals. Nano letters 17 (2) (2017)