Author/Creator: Procacci, Piero - British Library Electronic Legal Deposit Catalogue-Journal Issues and Articles Search Results

Author/Creator Procacci, Piero

1. Blocking the FKBP12 induced dendrimeric burst in aberrant aggregation of α-synuclein by using the ElteN378 synthetic inhibitor. (1st January 2019)

Authors:: Caminati, Gabriella; Martina, Maria Raffaella; Menichetti, Stefano; Procacci, Piero
Journal:: Journal of enzyme inhibition and medicinal chemistry
Issue:: Volume 34:Number 1(2019)
Page Start:: 1711
Record Type:: Journal Article
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2. I. Dissociation free energies of drug–receptor systems via non-equilibrium alchemical simulations: a theoretical framework. Issue 22 (19th May 2016)

Authors:: Procacci, Piero
Journal:: Physical chemistry chemical physics
Issue:: Volume 18:Issue 22(2016)
Page Start:: 14991
Record Type:: Journal Article
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3. II. Dissociation free energies in drug–receptor systems via nonequilibrium alchemical simulations: application to the FK506-related immunophilin ligands. Issue 22 (19th May 2016)

Authors:: Nerattini, Francesca; Chelli, Riccardo; Procacci, Piero
Journal:: Physical chemistry chemical physics
Issue:: Volume 18:Issue 22(2016)
Page Start:: 15005
Record Type:: Journal Article
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4. Interaction of hydroxychloroquine with SARS-CoV2 functional proteins using all-atoms non-equilibrium alchemical simulations. Issue 62 (7th July 2020)

Authors:: Procacci, Piero; Macchiagodena, Marina; Pagliai, Marco; Guarnieri, Guido; Iannone, Francesco
Journal:: Chemical communications
Issue:: Volume 56:Issue 62(2020)
Page Start:: 8854
Record Type:: Journal Article
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5. Methodological uncertainties in drug-receptor binding free energy predictions based on classical molecular dynamics. (April 2021)

Authors:: Procacci, Piero
Journal:: Current opinion in structural biology
Issue:: Volume 67(2021)
Page Start:: 127
Record Type:: Journal Article
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6. NE‐RDFE: A protocol and toolkit for computing relative dissociation free energies with GROMACS between dissimilar molecules using bidirectional nonequilibrium dual topology schemes. Issue 12 (27th January 2023)

Authors:: Macchiagodena, Marina; Pagliai, Marco; Procacci, Piero
Journal:: Journal of computational chemistry
Issue:: Volume 44:Issue 12(2023)
Page Start:: 1221
Record Type:: Journal Article
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7. Reformulating the entropic contribution in molecular docking scoring functions. Issue 19 (27th May 2016)

Authors:: Procacci, Piero
Journal:: Journal of computational chemistry
Issue:: Volume 37:Issue 19(2016)
Page Start:: 1819
Record Type:: Journal Article
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