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Branduardi, Davide
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1

Enabling synthesis in fragment-based drug discovery (FBDD):..:

Townley, Chloe ; Branduardi, Davide ; Chessari, Gianni...
RSC Medicinal Chemistry.  14 (2023)  12 - p. 2699-2713 , 2023
Link: https://doi.org/10.1039/..
 
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2

Atomic‐resolution dissection of the energetics and mechanis..:

Branduardi, Davide ; Marinelli, Fabrizio ; Faraldo‐Gómez, José D.
Journal of Computational Chemistry.  37 (2015)  6 - p. 575-586 , 2015
Link: https://doi.org/10.1002/..
 
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3

PLUMED 2: New feathers for an old bird:

Tribello, Gareth A. ; Bonomi, Massimiliano ; Branduardi, Davide..
Computer Physics Communications.  185 (2014)  2 - p. 604-613 , 2014
Link: https://doi.org/10.1016/..
 
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4

String Method for Calculation of Minimum Free-Energy Paths ..:

Branduardi, Davide ; Faraldo-Gómez, José D.
Journal of Chemical Theory and Computation.  9 (2013)  9 - p. 4140-4154 , 2013
Link: https://doi.org/10.1021/..
 
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5

Discovery of a New Class of Highly Potent Inhibitors of Aci..:

Pizzirani, Daniela ; Pagliuca, Chiara ; Realini, Natalia...
Journal of Medicinal Chemistry.  56 (2013)  9 - p. 3518-3530 , 2013
Link: https://doi.org/10.1021/..
 
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6

A Catalytic Mechanism for Cysteine N-Terminal Nucleophile H..:

Lodola, Alessio ; Branduardi, Davide ; De Vivo, Marco...
PLoS ONE.  7 (2012)  2 - p. e32397 , 2012
Link: https://doi.org/10.1371/..
 
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7

Theoretical Insights into the Mechanism of Carbon Monoxide ..:

Vummaleti, Sai Vikrama Chaitanya ; Branduardi, Davide ; Masetti, Matteo...
Chemistry – A European Journal.  18 (2012)  30 - p. 9267-9275 , 2012
Link: https://doi.org/10.1002/..
 
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8

Metadynamics with Adaptive Gaussians:

Branduardi, Davide ; Bussi, Giovanni ; Parrinello, Michele
Journal of Chemical Theory and Computation.  8 (2012)  7 - p. 2247-2254 , 2012
Link: https://doi.org/10.1021/..
 
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9

Covalent Inhibitors of Fatty Acid Amide Hydrolase: A Ration..:

Palermo, Giulia ; Branduardi, Davide ; Masetti, Matteo...
Journal of Medicinal Chemistry.  54 (2011)  19 - p. 6612-6623 , 2011
Link: https://doi.org/10.1021/..
 
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10

Insights into Ligand–Protein Binding from Local Mechanical ..:

Patel, Jagdish Suresh ; Branduardi, Davide ; Masetti, Matteo..
Journal of Chemical Theory and Computation.  7 (2011)  10 - p. 3368-3378 , 2011
Link: https://doi.org/10.1021/..
 
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11

Investigating the Mechanism of Substrate Uptake and Release..:

Grazioso, Giovanni ; Limongelli, Vittorio ; Branduardi, Davide...
Journal of the American Chemical Society.  134 (2011)  1 - p. 453-463 , 2011
Link: https://doi.org/10.1021/..
 
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12

Methyl Phosphate Dianion Hydrolysis in Solution Characteriz..:

Branduardi, Davide ; De Vivo, Marco ; Rega, Nadia..
Journal of Chemical Theory and Computation.  7 (2011)  3 - p. 539-543 , 2011
Link: https://doi.org/10.1021/..
 
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13

A chirality-based metrics for free-energy calculations in b..:

Pietropaolo, Adriana ; Branduardi, Davide ; Bonomi, Massimiliano.
Journal of Computational Chemistry.  32 (2011)  12 - p. 2627-2637 , 2011
Link: https://doi.org/10.1002/..
 
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14

Free-Energy-Based Methods for Binding Profile Determination..:

Fidelak, Jérémy ; Juraszek, Jarek ; Branduardi, Davide..
The Journal of Physical Chemistry B.  114 (2010)  29 - p. 9516-9524 , 2010
Link: https://doi.org/10.1021/..
 
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15

Nucleotide-dependent conformational states of actin:

Pfaendtner, Jim ; Branduardi, Davide ; Parrinello, Michele..
Proceedings of the National Academy of Sciences.  106 (2009)  31 - p. 12723-12728 , 2009
Link: https://doi.org/10.1073/..
 
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