Walter Rocchia
机构: Senior Researcher at Italian Institute of Technology
每年引用次数
引用次数
引用: 4,995
H-指数: 31
I10-指数 : 61
出版物: 128
STRUCTURAL PROPERTIES OF MIXED ULTRATHIN ORGANIC FILMS INVESTIGATED BY SCANNING PROBE MICROSCOPY
MT PARODI , W ROCCHIA , A CHIABRERA , E DI ZITTI
Sensors and microsystems: proceedings of the 4th Italian Conference: Roma, Italy, 3-5 February 1999 181 -181
2000
FACE: facial automaton for conveying emotions
Walter Rocchia , Marcello Ferro , Andrea Marchetti , Arti Ahluwalia
Applied Bionics and Biomechanics 1 ( 2) 91 -100
14
2004
BiKi Life Sciences: A New Suite for Molecular Dynamics and Related Methods in Drug Discovery
Sergio Decherchi , Giovanni Bottegoni , Andrea Spitaleri , Walter Rocchia
Journal of Chemical Information and Modeling 58 ( 2) 219 -224
50
2018
A simple and accurate protocol for absolute polar metabolite quantification in cell cultures using quantitative nuclear magnetic resonance
Luca Goldoni , Tiziana Beringhelli , Walter Rocchia , Natalia Realini
Analytical Biochemistry 501 26 -34
8
2016
Multiplexed Discrimination of Single Amino Acid Residues in Polypeptides in a Single SERS Hot Spot.
Jian‐An Huang , Mansoureh Z. Mousavi , Giorgia Giovannini , Yingqi Zhao
Angewandte Chemie 59 ( 28) 11423 -11431
11
2020
PypKa: A Flexible Python Module for Poisson–Boltzmann-Based pKa Calculations
Pedro B. P. S. Reis , Diogo Vila-Viçosa , Walter Rocchia , Miguel Machuqueiro
Journal of Chemical Information and Modeling 60 ( 10) 4442 -4448
26
2020
A Pipeline To Enhance Ligand Virtual Screening: Integrating Molecular Dynamics and Fingerprints for Ligand and Proteins
Francesca Spyrakis , Paolo Benedetti , Sergio Decherchi , Walter Rocchia
Journal of Chemical Information and Modeling 55 ( 10) 2256 -2274
42
2015
A catalytically silent FAAH-1 variant drives anandamide transport in neurons
Jin Fu , Giovanni Bottegoni , Oscar Sasso , Rosalia Bertorelli
Nature Neuroscience 15 ( 1) 64 -69
139
2012
Chromatin Compaction Multiscale Modeling: A Complex Synergy Between Theory, Simulation, and Experiment.
Artemi Bendandi , Silvia Dante , Syeda Rehana Zia , Alberto Diaspro
Frontiers in Molecular Biosciences 7 15
11
2020
Implicit solvent methods for free energy estimation
Sergio Decherchi , Matteo Masetti , Ivan Vyalov , Walter Rocchia
European Journal of Medicinal Chemistry 91 27 -42
27
2015
Kinetics of protein-ligand unbinding via smoothed potential molecular dynamics simulations.
Luca Mollica , Sergio Decherchi , Syeda Rehana Zia , Roberto Gaspari
Scientific Reports 5 ( 1) 11539 -11539
128
2015
Green fluorescent protein ground states: the influence of a second protonation site near the chromophore.
Ranieri Bizzarri , Riccardo Nifosì , Stefania Abbruzzetti , Walter Rocchia
Biochemistry 46 ( 18) 5494 -5504
79
2007
Probing Hydration Patterns in Class-A GPCRs via Biased MD: The A2A Receptor
Syeda Rehana Zia , Roberto Gaspari , Sergio Decherchi , Walter Rocchia
Journal of Chemical Theory and Computation 12 ( 12) 6049 -6061
12
2016
Kinetic and Structural Insights into the Mechanism of Binding of Sulfonamides to Human Carbonic Anhydrase by Computational and Experimental Studies.
Roberto Gaspari , Chris Rechlin , Andreas Heine , Giovanni Bottegoni
Journal of Medicinal Chemistry 59 ( 9) 4245 -4256
39
2016
Mapping all-atom models onto one-bead Coarse Grained Models: general properties and applications to a minimal polypeptide model
Valentina Tozzini , Walter Rocchia , J. Andrew McCammon
Journal of Chemical Theory and Computation 2 ( 3) 667 -673
53
2006
Insights into Ligand–Protein Binding from Local Mechanical Response
Jagdish Suresh Patel , Davide Branduardi , Matteo Masetti , Walter Rocchia
Journal of Chemical Theory and Computation 7 ( 10) 3368 -3378
13
2011
Describing the Conformational Landscape of Small Organic Molecules through Gaussian Mixtures in Dihedral Space.
Pasquale Pisani , Paolo Piro , Sergio Decherchi , Giovanni Bottegoni
Journal of Chemical Theory and Computation 10 ( 6) 2557 -2568
10
2014
Strain-amplified electroactive polymer actuator for haptic interfaces
Danilo De Rossi , Federico Lorussi , Alberto Mazzoldi , Walter Rocchia
Smart Structures and Materials 2001: Electroactive Polymer Actuators and Devices 4329 43 -53
10
2001
A statistical mechanics handbook for protein-ligand binding simulation
Walter Rocchia , Sara Bonella
Frontiers in Bioscience S5 ( 2) 478 -495
2013
The ligand binding mechanism to purine nucleoside phosphorylase elucidated via molecular dynamics and machine learning
Sergio Decherchi , Anna Berteotti , Giovanni Bottegoni , Walter Rocchia
Nature Communications 6 ( 1) 6155 -6155
125
2015