Suchergebnisse - "Cavasotto, Claudio"

PubPharm (120)

61

Computational and experimental studies of the interaction between phospho-peptides and the C-terminal domain of BRCA1

enthalten in: Journal of computer aided molecular design | 2011

von Anisimov, V. | Ziemys, A. | Kizhake, S. | +3

62

Computational and experimental studies of the interaction between phospho-peptides and the C-terminal domain of BRCA1

enthalten in: Journal of computer aided molecular design | 2011

von Anisimov, V. | Ziemys, A. | Kizhake, S. | +3

63

Quantum mechanical binding free energy calculation for phosphopeptide inhibitors of the Lck SH2 domain

enthalten in: Journal of computational chemistry | 2011

von Anisimov, V. | Cavasotto, C.

64

Quantum mechanical binding free energy calculation for phosphopeptide inhibitors of the Lck SH2 domain

enthalten in: Journal of computational chemistry | 2011

von Anisimov, V. | Cavasotto, C.

65

Hydration free energies using semiempirical quantum mechanical Hamiltonians and a continuum solvent model with multiple atomic-type parameters

enthalten in: The journal of physical chemistry. B | 2011

von Anisimov, V. | Cavasotto, C.

66

Homology Models in Docking and High-Throughput Docking

enthalten in: Current topics in medicinal chemistry | 2011

von N. Cavasotto, C.

67

The canonical equilibrium of constrained molecular models

enthalten in: arXiv.org | 2011

von Echenique, P. | Cavasotto, C. | García-Risueño, P.

68

Docking-based virtual screening for ligands of G protein-coupled receptors : not only crystal structures but also in silico models

enthalten in: Journal of molecular graphics & modelling | 2011

von Vilar, S. | Ferino, G. | Phatak, S. | +3

69

Docking-based virtual screening for ligands of G protein-coupled receptors: Not only crystal structures but also in silico models

enthalten in: Journal of molecular graphics and modelling | 2011

von Vilar, S. | Ferino, G. | Phatak, S. | +3

70

An exact expression to calculate the derivatives of position-dependent observables in molecular simulations with flexible constraints

enthalten in: PloS one | 2011

von Echenique, P. | Cavasotto, C. | De Marco, M. | +2

ErratumIn: PLoS One. 2017 Dec 6;12 (12 ):e0189454. - PMID 29211794