Flavio Forti

发表

Extension of the MST continuum solvation model to the RM1 semiempirical hamiltonian

F. Javier Luque, Xavier Barril, F. J. Luque, 2008, J. Comput. Chem..

A Multilevel Strategy for the Exploration of the Conformational Flexibility of Small Molecules.

Claudio N. Cavasotto, Claudio N Cavasotto, Xavier Barril, 2012, Journal of chemical theory and computation.

Comparing and combining implicit ligand sampling with multiple steered molecular dynamics to study ligand migration processes in heme proteins

Dario A. Estrin, Marcelo A. Marti, Flavio Forti, 2011, J. Comput. Chem..

CO Rebinding Kinetics and Molecular Dynamics Simulations Highlight Dynamic Regulation of Internal Cavities in Human Cytoglobin

F. J. Luque, M. Nardini, M. Bolognesi, 2013, PloS one.

Biophysical Characterisation of Neuroglobin of the Icefish, a Natural Knockout for Hemoglobin and Myoglobin. Comparison with Human Neuroglobin

A. Nadra, L. Moens, D. Estrin, 2012, PloS one.

Assessing the accuracy and performance of implicit solvent models for drug molecules: conformational ensemble approaches.

Martin Lepšík, Jindřich Fanfrlík, Pavel Hobza, 2013, The journal of physical chemistry. B.

Role of PheE15 Gate in Ligand Entry and Nitric Oxide Detoxification Function of Mycobacterium tuberculosis Truncated Hemoglobin N

F. J. Luque, M. Martí, D. Estrin, 2012, PloS one.

Ligand migration in Methanosarcina acetivorans protoglobin: effects of ligand binding and dimeric assembly.

F. J. Luque, F Javier Luque, Flavio Forti, 2011, The journal of physical chemistry. B.

Flexibilidad conformacional de moléculas bioactivas: implicaciones en diseño de fármacos y función de globinas

F. Forti, Flavio Forti, 2011 .

Geometrical and electronic structure variability of the sugar-phosphate backbone in nucleic acids.

Daniel Svozil, F. J. Luque, Modesto Orozco, 2008, The journal of physical chemistry. B.