Holonomic Constraints: A Case for Statistical Mechanics of Non-Hamiltonian Systems.
- Published in:
- Computation, 2018, v. 6, n. 1, p. 11, doi. 10.3390/computation6010011
- By:
- Publication type:
- Article
Works by Ciccotti, Giovanni
Results: 37
1
2
Dynamical nonequilibrium molecular dynamics reveals the structural basis for allostery and signal propagation in biomolecular systems.
- Published in:
- European Physical Journal B: Condensed Matter, 2021, v. 94, n. 7, p. 1, doi. 10.1140/epjb/s10051-021-00157-0
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- Publication type:
- Article
3
Nuclear quantum effects in electronic (non)adiabatic dynamics.
- Published in:
- European Physical Journal B: Condensed Matter, 2018, v. 91, n. 7, p. 1, doi. 10.1140/epjb/e2018-90144-3
- By:
- Publication type:
- Article
4
The role of loop ZA and Pro371 in the function of yeast Gcn5p bromodomain revealed through molecular dynamics and experiment.
- Published in:
- Journal of Molecular Recognition, 2006, v. 19, n. 1, p. 1, doi. 10.1002/jmr.748
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- Publication type:
- Article
5
Continuum mechanics from molecular dynamics via adiabatic time and length scale separation.
- Published in:
- Letters in Mathematical Physics, 2023, v. 113, n. 1, p. 1, doi. 10.1007/s11005-022-01616-0
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- Publication type:
- Article
6
Constrained reaction coordinate dynamics for systems with constraints.
- Published in:
- Molecular Physics, 2003, v. 101, n. 18, p. 2885, doi. 10.1080/00268970310001592746
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- Publication type:
- Article
7
Algorithms for Brownian dynamics.
- Published in:
- Molecular Physics, 2003, v. 101, n. 12, p. 1927, doi. 10.1080/0026897031000108113
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- Publication type:
- Article
8
Constant pressure-constant temperature molecular dynamics: a correct constrained NPT ensemble using the molecular virial.
- Published in:
- Molecular Physics, 2003, v. 101, n. 6, p. 765, doi. 10.1080/0026897021000044025
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- Publication type:
- Article
9
Brownian dynamics with constraints.
- Published in:
- Molecular Physics, 2001, v. 99, n. 24, p. 2023, doi. 10.1080/00268970110090854
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- Publication type:
- Article
10
Simulation of site-site soft-core liquid crystal models.
- Published in:
- Molecular Physics, 1993, v. 80, n. 2, p. 297, doi. 10.1080/00268979300102271
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- Publication type:
- Article
11
Hoover NPT dynamics for systems varying in shape and size.
- Published in:
- Molecular Physics, 1993, v. 78, n. 3, p. 533, doi. 10.1080/00268979300100371
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- Publication type:
- Article
12
Particle-Based Modeling of Living Actin Filaments in an Optical Trap.
- Published in:
- Polymers (20734360), 2016, v. 8, n. 9, p. 343, doi. 10.3390/polym8090343
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- Publication type:
- Article
13
Computing the Acidity of Liquids via Ab Initio Molecular Dynamics.
- Published in:
- ChemPhysChem, 2007, v. 8, n. 14, p. 2072, doi. 10.1002/cphc.200700250
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- Publication type:
- Article
14
Blue Moon Sampling, Vectorial Reaction Coordinates, and Unbiased Constrained Dynamics.
- Published in:
- ChemPhysChem, 2005, v. 6, n. 9, p. 1809, doi. 10.1002/cphc.200400669
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- Publication type:
- Article
15
Non-equilibrium by molecular dynamics: a dynamical approach.
- Published in:
- Molecular Simulation, 2016, v. 42, n. 16, p. 1385, doi. 10.1080/08927022.2015.1121543
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- Publication type:
- Article
16
Time reversal and symmetries of time correlation functions.
- Published in:
- Molecular Physics, 2018, v. 116, n. 21/22, p. 3097, doi. 10.1080/00268976.2018.1464674
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- Publication type:
- Article
17
Jarzynski on work and free energy relations: The case of variable volume.
- Published in:
- AIChE Journal, 2021, v. 67, n. 1, p. 1, doi. 10.1002/aic.17082
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- Publication type:
- Article
18
Simulating quantum dynamics in classical environments.
- Published in:
- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2003, v. 110, n. 2, p. 49, doi. 10.1007/s00214-003-0456-0
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- Publication type:
- Article
19
Effective Binding Force Calculation in Dimeric Proteins.
- Published in:
- Molecular Simulation, 2004, v. 30, n. 11/12, p. 807, doi. 10.1080/0892702042000270205
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- Publication type:
- Article
20
Blue Moon Approach to Rare Events.
- Published in:
- Molecular Simulation, 2004, v. 30, n. 11/12, p. 787, doi. 10.1080/0892702042000270214
- By:
- Publication type:
- Article
21
Diagnostic ultrasound-guided excisional testicular biopsy for small (< 1 cm) incidental nodules. A single institution experience.
- Published in:
- Archives of Italian Urology & Andrology / Archivio Italiano di Urologia Andrologia, 2014, v. 86, n. 4, p. 373, doi. 10.4081/aiua.2014.4.373
- By:
- Publication type:
- Article
22
Diagnostic and therapeutic utility of transrectal ultrasound in urological office prostatic abscess management: A short report from a single urologic center.
- Published in:
- Archives of Italian Urology & Andrology / Archivio Italiano di Urologia Andrologia, 2014, v. 86, n. 4, p. 344, doi. 10.4081/aiua.2014.4.344
- By:
- Publication type:
- Article
23
Simulation of a Diatomic Liquid Using Hard Spheres Model.
- Published in:
- Journal of Statistical Physics, 2004, v. 115, n. 1/2, p. 701, doi. 10.1023/B:JOSS.0000019823.05483.ae
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- Publication type:
- Article
24
Nucleation of multi-species crystals: methane cleatrate hydrates, a playground for classical force models.
- Published in:
- Molecular Physics, 2024, v. 122, n. 21/22, p. 1, doi. 10.1080/00268976.2024.2410484
- By:
- Publication type:
- Article
25
The emergence of protein dynamics simulations: how computational statistical mechanics met biochemistry.
- Published in:
- European Physical Journal H, 2022, v. 47, n. 1, p. 1, doi. 10.1140/epjh/s13129-022-00043-y
- By:
- Publication type:
- Article
26
The breakthrough of a quantum chemist by classical dynamics: Martin Karplus and the birth of computer simulations of chemical reactions.
- Published in:
- European Physical Journal H, 2021, v. 46, n. 1, p. 1, doi. 10.1140/epjh/s13129-021-00013-w
- By:
- Publication type:
- Article
27
Berni Alder and the pioneering times of molecular simulation.
- Published in:
- European Physical Journal H, 2018, v. 43, n. 3, p. 303, doi. 10.1140/epjh/e2018-90027-5
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- Publication type:
- Article
28
Combining Rare Events Techniques: Phase Change in Si Nanoparticles.
- Published in:
- Journal of Statistical Physics, 2011, v. 145, n. 4, p. 812, doi. 10.1007/s10955-011-0390-9
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- Publication type:
- Article
29
Temperature-accelerated molecular dynamics gives insights into globular conformations sampled in the free state of the AC catalytic domain.
- Published in:
- Proteins, 2014, v. 82, n. 10, p. 2483, doi. 10.1002/prot.24612
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- Publication type:
- Article
30
Dynamical Non-Equilibrium Molecular Dynamics.
- Published in:
- Entropy, 2014, v. 16, n. 1, p. 233, doi. 10.3390/e16010233
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- Publication type:
- Article
31
Approximating Time-Dependent Quantum Statistical Properties.
- Published in:
- Entropy, 2014, v. 16, n. 1, p. 86, doi. 10.3390/e16010086
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- Publication type:
- Article
32
Kinetics of phase transitions in two dimensional Ising models studied with the string method.
- Published in:
- Journal of Mathematical Chemistry, 2009, v. 45, n. 1, p. 188, doi. 10.1007/s10910-008-9376-5
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- Publication type:
- Article
33
Molecular Dynamics vs. Stochastic Processes: Are We Heading Anywhere?
- Published in:
- Entropy, 2018, v. 20, n. 5, p. 348, doi. 10.3390/e20050348
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- Publication type:
- Article
34
Projection of diffusions on submanifolds: Application to mean force computation.
- Published in:
- Communications on Pure & Applied Mathematics, 2008, v. 61, n. 3, p. 371, doi. 10.1002/cpa.20210
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- Publication type:
- Article
35
Computer simulation of the generalized brownian motion.
- Published in:
- Molecular Physics, 1982, v. 46, n. 4, p. 875, doi. 10.1080/00268978200101651
- By:
- Publication type:
- Article
36
A Structural Model of the Human α7 Nicotinic Receptor in an Open Conformation.
- Published in:
- PLoS ONE, 2015, v. 10, n. 7, p. 1, doi. 10.1371/journal.pone.0133011
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- Publication type:
- Article
37
Conformational Changes in Acetylcholine Binding Protein Investigated by Temperature Accelerated Molecular Dynamics.
- Published in:
- PLoS ONE, 2014, v. 9, n. 2, p. 1, doi. 10.1371/journal.pone.0088555
- By:
- Publication type:
- Article