DUGi: Llistar Títols | dc.subject:"Molecular dynamics"

Llistar Títols

S'han trobat 173 ítems

Llistant ítems des de 125 a 150:

1 2 3 4 5 6 7

Format	Data	Títol	Autor
Format	Data	Títol	Autor
	5 juny 2018	Rational Design of Cyclic Antimicrobial Peptides Based on BPC194 and BPC198	Díaz i Cirac, Anna ; Torné, Maria ; Badosa Romañó, Esther ; Montesinos Seguí, Emilio ; Salvador Sedano, Pedro ; Feliu Soley, Lídia ; Planas i Grabuleda, Marta
	15 febrer 2020	Rational Design of Cyclic Antimicrobial Peptides Based on BPC194 and BPC198	Díaz i Cirac, Anna ; Torné, Maria ; Badosa Romañó, Esther ; Montesinos Seguí, Emilio ; Salvador Sedano, Pedro ; Feliu Soley, Lídia ; Planas i Grabuleda, Marta
	24 juny 2017	Rational Design of Cyclic Antimicrobial Peptides Based on BPC194 and BPC198	Díaz i Cirac, Anna ; Torné, Maria ; Badosa Romañó, Esther ; Montesinos Seguí, Emilio ; Salvador Sedano, Pedro ; Feliu Soley, Lidia ; Planas i Grabuleda, Marta
	12 juny 2025	Rational design of tryptophan synthases through conformation and correlation-based allosteric networks	Duran Rebenaque, Cristina
	12 juny 2025	Rational design of tryptophan synthases through conformation and correlation-based allosteric networks	Duran Rebenaque, Cristina
	2003	Relations among several nuclear and electronic density functional reactivity indexes	Torrent Sucarrat, Miquel ; Luis Luis, Josep Maria ; Duran i Portas, Miquel ; Toro-Labbé, Alejandro ; Solà i Puig, Miquel
		Relations among several nuclear and electronic density functional reactivity indexes	Torrent Sucarrat, Miquel ; Luis Luis, Josep Maria ; Duran i Portas, Miquel ; Toro-Labbé, Alejandro ; Solà i Puig, Miquel
	1997	The relevance of the Laplacian of intracule and extracule density distributions for analyzing electron-electron interactions in molecules	Fradera i Llinàs, Xavier ; Duran i Portas, Miquel ; Mestres i López, Jordi
		The relevance of the Laplacian of intracule and extracule density distributions for analyzing electron-electron interactions in molecules	Fradera i Llinàs, Xavier ; Duran i Portas, Miquel ; Mestres i López, Jordi
	15 febrer 2020	The relevance of the Laplacian of intracule and extracule density distributions for analyzing electron-electron interactions in molecules	Fradera i Llinàs, Xavier ; Duran i Portas, Miquel ; Mestres i López, Jordi
	2004	Second-order Møller-Plesset perturbation theory without basis set superposition error : II : open-shell systems	Salvador Sedano, Pedro ; Mayer, István
		Second-order Møller-Plesset perturbation theory without basis set superposition error : II : open-shell systems	Salvador Sedano, Pedro ; Mayer, István
	setembre 2018	The secrets of biocatalysis: adaptation of epoxide hydrolase enzyme from Bacillus megaterium for drug synthesis	Torrent Palahí, Judit
	2006	Selected configuration interaction with truncation energy error and application to the Ne atom	Bunge, Carlos F.
		Selected configuration interaction with truncation energy error and application to the Ne atom	Bunge, Carlos F.
	1998	Simple finite field method for calculation of static and dynamic vibrational hyperpolarizabilities: curvature contributions	Kirtman, Bernard ; Luis Luis, Josep Maria ; Bishop, David M.
		Simple finite field method for calculation of static and dynamic vibrational hyperpolarizabilities: curvature contributions	Kirtman, Bernard ; Luis Luis, Josep Maria ; Bishop, David M.
	2008	Simple finite field nuclear relaxation method for calculating vibrational contribution to degenerate four-wave mixing	Kirtman, Bernard ; Luis Luis, Josep Maria
		Simple finite field nuclear relaxation method for calculating vibrational contribution to degenerate four-wave mixing	Kirtman, Bernard ; Luis Luis, Josep Maria
	setembre 2018	Simulació de cel·les fotovoltaiques orgàniques	Lorenzo Beza, Joel
	2004	Speed of travelling fronts: Two-dimensional and ballistic dispersal probability distributions	Méndez López, Vicenç ; Campos, Daniel ; Fort, Joaquim
		Speed of travelling fronts: Two-dimensional and ballistic dispersal probability distributions	Méndez López, Vicenç ; Campos, Daniel ; Fort, Joaquim
	1997	A systematic and feasible method for computing nuclear contributions to electrical properties of polyatomic molecules	Luis Luis, Josep Maria ; Duran i Portas, Miquel ; Andrés, José Luís
		A systematic and feasible method for computing nuclear contributions to electrical properties of polyatomic molecules	Luis Luis, Josep Maria ; Duran i Portas, Miquel ; Andrés, José Luís
	1995	Systematic study of the static electrical properties of the CO molecule: influence of the basis set size and correlation energy	Luis Luis, Josep Maria ; Martí, Josep ; Duran i Portas, Miquel ; Andrés, José Luís

1 2 3 4 5 6 7

DUGi

Portal de cerca conjunta als documents digitals de la UdG

Llistar Títols

Matèries

Autors