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Computational chemistry
Results: 1931

#	Item
171	THE JOURNAL OF CHEMICAL PHYSICS 124, 184109 共2006兲 The midpoint method for parallelization of particle simulations Kevin J. Bowers and Ron O. Dror D. E. Shaw Research, LLC, 39th Floor, Tower 45, 120 West 45th Street Add to Reading List Source URL: www.deshawresearch.com Language: English - Date: 2010-09-27 16:06:45 Chemistry Physics Nature Molecular modelling Computational chemistry Elementary particles Leptons Computational physics Molecular dynamics Particle Mesh Electron Force field
172	Appendix B: Residue Parameter Files Parameter files describing the chemical and structural properties of each residue is found in the PyRosetta package in the rosetta_database/chemical/residue_type_sets directory. The fu Add to Reading List Source URL: graylab.jhu.edu Language: English Chemistry Computational chemistry Molecular modelling Z-matrix Polymer Chemical bond
173	DESRES/TRDesmond Performance on a Cluster of Multicore Processors Edmond Chow, 1 Charles A. Rendleman,1 Kevin J. Bowers,1 Ron O. Dror,1 Douglas H. Hughes,1 Justin Gullingsrud,1 Federico D. Sacerdoti,1 and Davi Add to Reading List Source URL: www.deshawresearch.com Language: English - Date: 2010-09-27 16:06:44 Computing Chemistry Parallel computing Theoretical chemistry Computational chemistry Molecular dynamics Molecular modelling Scientific modeling Benchmark Multi-core processor Desmond
174	Workshop #3: PyRosetta Scoring Scoring Poses A basic function of Rosetta is calculating the energy or score of a biomolecule. Rosetta has a standard energy function for all-atom calculations as well as several scoring fu Add to Reading List Source URL: graylab.jhu.edu Language: English - Date: 2014-02-05 16:58:07 Chemistry Nature Protein structure Bioinformatics Intermolecular forces Molecular modelling Computational chemistry Hydrogen bond CHARMM Force field
175	Lecture Notes: Invitation to Numerical Analysis Homer Reid February 4, 2014 Suppose you’re a material scientist. (Or a physicist, or a chemist, or a biologist, or an electrical engineer, or a structural engineer Add to Reading List Source URL: homerreid.dyndns.org Language: English - Date: 2015-10-27 00:54:56 Mathematical analysis Complex analysis Mathematical series Numerical analysis Computational chemistry Theoretical chemistry Taylor series Logarithm Ewald summation Integral Spectral method Series
176	Post-doctoral position in Computational Chemistry AstraZeneca Research Centre Reims (France). As part of our expanding commitment to ADME targeted molecular design in early phase drug discovery, we have created this new Add to Reading List Source URL: www.qsar.org Language: English - Date: 2010-01-30 08:23:12
177	Appendix A: Command Reference Python Commands and Syntax # I am a comment; Python ignores me. """I am also ignored. Me too! """ Add to Reading List Source URL: graylab.jhu.edu Language: English - Date: 2014-09-11 17:11:31 Chemistry Protein structure Bioinformatics Nature Computational chemistry Computer vision Mathematical and theoretical biology STING Docking Side chain Pose
178	LA-URAllostery in a Coarse-Grained Model of Protein Dynamics Dengming Ming Computer and Computational Sciences Division, Los Alamos National Laboratory, Los Alamos, NM 87545, USA Add to Reading List Source URL: public.lanl.gov Language: English - Date: 2006-03-28 11:40:21 Chemistry Molecular modelling Force field CHARMM Trypsinogen Turn Trypsin
179	doi:j.jcp Add to Reading List Source URL: www.ppm-library.org Language: English - Date: 2014-08-27 12:27:05 Computational science Computational fluid dynamics Chemistry Computational physics Physics Computational chemistry Molecular dynamics Scientific modeling Particle-in-cell N-body simulation Smoothed-particle hydrodynamics Dissipative particle dynamics
180	Computational Chemistry: Vom Sauren Regen bis zu Insulintherapie Markus Meuwly Department of Chemistry University of Basel Add to Reading List Source URL: cccs.unibas.ch Language: English - Date: 2015-10-07 02:58:04

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