Molecular dynamics

Results: 1160



#Item
601Signal transduction / Adenylate kinase / Membrane biology / Proteins / Testin / G protein / Protein domain / Molecular dynamics / Enzyme catalysis / Biology / Cell signaling / Cellular respiration

Hindawi Publishing Corporation BioMed Research International Volume 2013, Article ID[removed], 7 pages http://dx.doi.org[removed][removed]Research Article

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Source URL: downloads.hindawi.com

Language: English - Date: 2014-05-08 06:36:09
602Photochemistry / Astrophysics / Photodissociation / Photosynthesis / Atomic /  molecular /  and optical physics / Conical intersection / Rydberg state / Interstellar medium / Excited state / Chemistry / Science / Physics

24th November[removed]:00 Building 25b, Room 109 Xueming Yang State Key Laboratory of Molecular Reaction Dynamics, Dalian Institute of Chemical Physics, Chinese Academy of Sciences, Dalian, China

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Source URL: www.cfel.de

Language: English - Date: 2013-05-15 18:52:00
603Theoretical chemistry / Density functional theory / Molecular modelling / Quantum chemistry / Molecular dynamics / CP2K / Ab initio quantum chemistry methods / Force field / Michele Parrinello / Chemistry / Science / Computational chemistry

University of Zurich Zurich Open Repository and Archive Winterthurerstr. 190 CH-8057 Zurich http://www.zora.uzh.ch

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Source URL: www.zora.uzh.ch

Language: English - Date: 2010-11-29 09:01:50
604Biology / Molecular modelling / Helices / Computational chemistry / Molecular dynamics / Alpha helix / Dihedral angle / Ramachandran plot / STING / Algebra / Protein structure / Mathematics

Salient Frame Detection for Molecular Dynamics Simulations Youngmin Kim1 , Robert Patro2 , Cheuk Yiu Ip3 , Dianne P. O’Leary4 , Andriy Anishkin5 , Sergei Sukharev6 , and Amitabh Varshney7 1,2,3,4,7 Department of Comput

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Source URL: drops.dagstuhl.de

Language: English - Date: 2011-10-26 08:26:55
605Rotation / Quantum chemistry / Spectroscopy / Chemical physics / Diatomic molecule / Angular momentum / Energy level / Activation energy / Rotational transition / Chemistry / Physics / Molecular physics

THE JOURNAL OF CHEMICAL PHYSICS 134, [removed]Full-dimensional quantum dynamics calculations of H2 –H2 collisions N. Balakrishnan,1,a) G. Quéméner,2 R. C. Forrey,3 R. J. Hinde,4 and P. C. Stancil5 1

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Source URL: physics.bk.psu.edu

Language: English - Date: 2011-01-07 12:01:57
606Convection / Heat transfer / Vector calculus / Molecular diffusion / Mathematical analysis / Fluid mechanics / Fluid dynamics / Oceanography / Advection

Dr Jaromir Jakacki CHEMSEA Leakage Model for Risk Assessment - Summary[removed]

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Source URL: chemsea.eu

Language: English - Date: 2015-02-02 07:01:16
607Molecular modelling / Computational chemistry / Protein structure / Medicinal chemistry / Bioinformatics / Molecular dynamics / Nuclear magnetic resonance spectroscopy / Docking / Structural genomics / Chemistry / Biology / Science

Fall[removed]CHEMISTRY 475 Physical Chemistry of Macromolecules Lectures: Mon & Wed 6:00 PM-7:15PM FW 201FW300 Instructor – James R. Horn, FW 432, [removed], [removed] (note: j r horn) Office Hours – By appoint

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Source URL: www.niu.edu

Language: English - Date: 2015-02-09 12:31:35
608Cluster chemistry / Surface chemistry / Chemisorption / Materials science / Molecular dynamics / Chemical bond / Adsorption / Cluster / Metal-organic framework / Chemistry / Physical chemistry / Catalysis

PHYSICAL REVIEW B 73, 155436 2006 First principles studies on the growth of small Cu clusters and the dissociative chemisorption of H2 Galip H. Guvelioglu, Pingping Ma, and Xiaoyi He Air Products and Chemicals, Inc.,

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Source URL: physics.bk.psu.edu

Language: English - Date: 2006-05-01 12:31:47
609Molecular dynamics / Polymer / Science / Nanotechnology / Nanopore / Sauro Succi

Multiscale coupling of molecular dynamics and hydrodynamics: an application to bio-polymer translocation through a nanopore Sauro Succi[removed]Istituto Applicazioni Calcolo, CNR,

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Source URL: phycomp.technion.ac.il

Language: English - Date: 2007-05-02 04:23:50
610Molecular modelling / Computational chemistry / Protein structure / Medicinal chemistry / Bioinformatics / Molecular dynamics / Nuclear magnetic resonance spectroscopy / Docking / Structural genomics / Chemistry / Biology / Science

Fall[removed]CHEMISTRY 675 Physical Chemistry of Macromolecules Lectures: Mon & Wed 6:00 PM-7:15PM FW 201ÆFW300 Instructor – James R. Horn, FW 432, [removed], [removed] (note: j r horn) Office Hours – By appointm

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Source URL: www.niu.edu

Language: English - Date: 2015-02-09 12:31:36
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