Reaction pathways by quantum Monte Carlo: Insight on the torsion barrier of 1,3-butadiene, and the conrotatory ring opening of cyclobutene

द्वारा Barborini, Matteo, Guidoni, Leonardo
प्रकाशित 2012

Ground State Geometries of Polyacetylene Chains from Many-Particle Quantum Mechanics

द्वारा Barborini, Matteo, Guidoni, Leonardo
में प्रकाशित J Chem Theory Comput (2015)

The Protonation State of the Glu-71/Asp-80 Residues in the KcsA Potassium Channel: A First-Principles QM/MM Molecular Dynamics Study

द्वारा Bucher, Denis, Guidoni, Leonardo, Rothlisberger, Ursula
प्रकाशित 2007

Optimized Structure and Vibrational Properties by Error Affected Potential Energy Surfaces

द्वारा Zen, Andrea, Zhelyazov, Delyan, Guidoni, Leonardo
प्रकाशित 2012

Structural and Spectroscopic Properties of Water Around Small Hydrophobic Solutes

द्वारा Montagna, Maria, Sterpone, Fabio, Guidoni, Leonardo
प्रकाशित 2012

Protein Field Effect on the Dark State of 11-cis Retinal in Rhodopsin by Quantum Monte Carlo/Molecular Mechanics

द्वारा Coccia, Emanuele, Varsano, Daniele, Guidoni, Leonardo
प्रकाशित 2013

The S(2) State of the Oxygen-Evolving Complex of Photosystem II Explored by QM/MM Dynamics: Spin Surfaces and Metastable States Suggest a Reaction Path Towards the S(3) State

द्वारा Bovi, Daniele, Narzi, Daniele, Guidoni, Leonardo
प्रकाशित 2013

Structural Optimization by Quantum Monte Carlo: Investigating the Low-Lying Excited States of Ethylene

द्वारा Barborini, Matteo, Sorella, Sandro, Guidoni, Leonardo
प्रकाशित 2012

Pathway for Mn-cluster oxidation by tyrosine-Z in the S(2) state of photosystem II

द्वारा Narzi, Daniele, Bovi, Daniele, Guidoni, Leonardo
प्रकाशित 2014

Ab Initio Geometry and Bright Excitation of Carotenoids: Quantum Monte Carlo and Many Body Green’s Function Theory Calculations on Peridinin

द्वारा Coccia, Emanuele, Varsano, Daniele, Guidoni, Leonardo
में प्रकाशित J Chem Theory Comput (2014)

Conformational transitions induced by γ-amino butyrate binding in GabR, a bacterial transcriptional regulator

द्वारा Frezzini, Mario, Guidoni, Leonardo, Pascarella, Stefano
में प्रकाशित Sci Rep (2019)

Coordination Numbers of K(+) and Na(+) Ions Inside the Selectivity Filter of the KcsA Potassium Channel: Insights from First Principles Molecular Dynamics

द्वारा Bucher, Denis, Guidoni, Leonardo, Carloni, Paolo, Rothlisberger, Ursula
प्रकाशित 2010

Molecular Properties by Quantum Monte Carlo: An Investigation on the Role of the Wave Function Ansatz and the Basis Set in the Water Molecule

द्वारा Zen, Andrea, Luo, Ye, Sorella, Sandro, Guidoni, Leonardo
प्रकाशित 2013

Reaction Pathways for Oxygen Evolution Promoted by Cobalt Catalyst

द्वारा Mattioli, Giuseppe, Giannozzi, Paolo, Bonapasta, Aldo Amore, Guidoni, Leonardo
प्रकाशित 2013

Quantum Monte Carlo Treatment of the Charge Transfer and Diradical Electronic Character in a Retinal Chromophore Minimal Model

द्वारा Zen, Andrea, Coccia, Emanuele, Gozem, Samer, Olivucci, Massimo, Guidoni, Leonardo
में प्रकाशित J Chem Theory Comput (2015)

Molecular dynamics simulation unveils the conformational flexibility of the interdomain linker in the bacterial transcriptional regulator GabR from Bacillus subtilis bound to pyrid...

द्वारा Milano, Teresa, Gulzar, Adnan, Narzi, Daniele, Guidoni, Leonardo, Pascarella, Stefano
में प्रकाशित PLoS One (2017)

The Impact of Nitric Oxide Toxicity on the Evolution of the Glutathione Transferase Superfamily: A PROPOSAL FOR AN EVOLUTIONARY DRIVING FORCE

द्वारा Bocedi, Alessio, Fabrini, Raffaele, Farrotti, Andrea, Stella, Lorenzo, Ketterman, Albert J., Pedersen, Jens Z., Allocati, Nerino, Lau, Peter C. K., Grosse, Stephan, Eltis, Lindsay D., Ruzzini, Antonio, Edwards, Thomas E., Morici, Laura, Del Grosso, Erica, Guidoni, Leonardo, Bovi, Daniele, Lo Bello, Mario, Federici, Giorgio, Parker, Michael W., Board, Philip G., Ricci, Giorgio
प्रकाशित 2013