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Journal of Chemical Theory and Computation
|
December 5, 2015
Modeling Induction Phenomena in Intermolecular Interactions with an Ab Initio Force Field
François Dehez, János G Ángyán, Ignacio Soteras Gutiérrez, et al.
Plos One
|
May 16, 2017
Unveiling a novel transient druggable pocket in BACE-1 through molecular simulations: Conformational analysis and binding mode of multisite inhibitors
Ornella Di Pietro, Jordi Juárez-Jiménez, Diego Muñoz-Torrero, et al.
Plos One
|
December 22, 2017
Correction: Unveiling a novel transient druggable pocket in BACE-1 through molecular simulations: Conformational analysis and binding mode of multisite inhibitors
Ornella Di Pietro, Jordi Juárez-Jiménez, Diego Muñoz-Torrero, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
May 29, 2010
Boron-based dipolar multicomponent reactions: simple generation of substituted aziridines, oxazolidines and pyrrolidines
Nicola Kielland, Federica Catti, Davide Bello, et al.
Phytochemistry
|
August 13, 2013
Wild daffodils of the section Ganymedes from the Iberian Peninsula as a source of mesembrane alkaloids
Natalia B Pigni, Segundo Ríos-Ruiz, F Javier Luque, et al.
The Journal of Organic Chemistry
|
December 4, 2004
Conjugate additions to phenylglycinol-derived unsaturated delta-lactams. Enantioselective synthesis of uleine alkaloids
Mercedes Amat, Maria Pérez, Núria Llor, et al.
Proteins
|
November 2, 2004
Partition of protein solvation into group contributions from molecular dynamics simulations
Antonio Morreale, Xavier de la Cruz, Tim Meyer, et al.
The Journal of Physical Chemistry. B
|
January 30, 2008
Ab initio study of naphtho-homologated DNA bases
Alvaro Vazquez-Mayagoita, Oscar Huertas, Miguel Fuentes-Cabrera, et al.
Journal of Molecular Modeling
|
August 3, 2010
Reactivity versus steric effects in fluorinated ketones as esterase inhibitors: a quantum mechanical and molecular dynamics study
Josep Rayo, Lourdes Muñoz, Gloria Rosell, et al.
Proteins
|
September 24, 2004
Linear response theory: an alternative to PB and GB methods for the analysis of molecular dynamics trajectories?
Antonio Morreale, Xavier de la Cruz, Tim Meyer, et al.
Page
of 22
Search research articles
Search
Showing results (101-110 of 215) with videos related to
Sort By:
Page
of 22
Journal of Chemical Theory and Computation
|
December 5, 2015
Modeling Induction Phenomena in Intermolecular Interactions with an Ab Initio Force Field
François Dehez, János G Ángyán, Ignacio Soteras Gutiérrez, et al.
Plos One
|
May 16, 2017
Unveiling a novel transient druggable pocket in BACE-1 through molecular simulations: Conformational analysis and binding mode of multisite inhibitors
Ornella Di Pietro, Jordi Juárez-Jiménez, Diego Muñoz-Torrero, et al.
Plos One
|
December 22, 2017
Correction: Unveiling a novel transient druggable pocket in BACE-1 through molecular simulations: Conformational analysis and binding mode of multisite inhibitors
Ornella Di Pietro, Jordi Juárez-Jiménez, Diego Muñoz-Torrero, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
May 29, 2010
Boron-based dipolar multicomponent reactions: simple generation of substituted aziridines, oxazolidines and pyrrolidines
Nicola Kielland, Federica Catti, Davide Bello, et al.
Phytochemistry
|
August 13, 2013
Wild daffodils of the section Ganymedes from the Iberian Peninsula as a source of mesembrane alkaloids
Natalia B Pigni, Segundo Ríos-Ruiz, F Javier Luque, et al.
The Journal of Organic Chemistry
|
December 4, 2004
Conjugate additions to phenylglycinol-derived unsaturated delta-lactams. Enantioselective synthesis of uleine alkaloids
Mercedes Amat, Maria Pérez, Núria Llor, et al.
Proteins
|
November 2, 2004
Partition of protein solvation into group contributions from molecular dynamics simulations
Antonio Morreale, Xavier de la Cruz, Tim Meyer, et al.
The Journal of Physical Chemistry. B
|
January 30, 2008
Ab initio study of naphtho-homologated DNA bases
Alvaro Vazquez-Mayagoita, Oscar Huertas, Miguel Fuentes-Cabrera, et al.
Journal of Molecular Modeling
|
August 3, 2010
Reactivity versus steric effects in fluorinated ketones as esterase inhibitors: a quantum mechanical and molecular dynamics study
Josep Rayo, Lourdes Muñoz, Gloria Rosell, et al.
Proteins
|
September 24, 2004
Linear response theory: an alternative to PB and GB methods for the analysis of molecular dynamics trajectories?
Antonio Morreale, Xavier de la Cruz, Tim Meyer, et al.
Page
of 22