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Computational chemistry
Results: 1931

#	Item
151	DRUG DISCOVERY The advantages of outsourcing computational chemistry With the increasing pressure to drive efficiencies in the drug discovery process, innovative approaches using computational chemistry are delivering p Add to Reading List Source URL: www.cresset-group.com Language: English - Date: 2016-05-13 15:14:17
152	DRUG DISCOVERY The advantages of outsourcing computational chemistry (Part 2) With the increasing pressure to drive efficiencies in the drug discovery process, innovative approaches using computational chemistry are del Add to Reading List Source URL: www.cresset-group.com Language: English - Date: 2016-05-13 15:17:03
153	Contact TranSOLV Promoting Gender Equality Add to Reading List Source URL: www.ruhr-uni-bochum.de Language: English - Date: 2015-12-16 09:39:42 Chemistry Solutions Solvation Ruhr University Bochum Bochum Computational chemistry
154	Theory Papers Kitaura, K.; Sawai, T.; Asada, T.; Nakano, T.; Uebayasi, M. Chem. Phys. Lett. 1999, 312, 319. Kitaura, K.; Ikeo, E.; Asada, T.; Nakano, T.; Uebayasi, M. Chem. Phys. Lett. 1999, 313, 701. Nakano, T.; Kaminum Add to Reading List Source URL: www.msg.ameslab.gov Language: English - Date: 2013-11-12 12:31:43 Chemistry Computational chemistry Fragment molecular orbital Molecular biology Theoretical chemistry Crystal
155	The Quantum Chemistry Group (Hättig Research Group) Our group is working on a number of projects concerned with the accurate description of interactions between molecules and of molecules with surfaces, solvents and ex Add to Reading List Source URL: www.theochem.ruhr-uni-bochum.de Language: English - Date: 2015-07-02 11:19:29 Theoretical chemistry Computational chemistry Quantum chemistry Ab initio quantum chemistry methods TURBOMOLE MOLPRO Intermolecular force Crystal HartreeFock method Spartan PQS
156	Detection of Functional Modes in Protein Dynamics Jochen S. Hub, Bert L. de Groot* Computational Biomolecular Dynamics Group, Max-Planck-Institute for Biophysical Chemistry, Go¨ttingen, Germany Abstract Proteins frequen Add to Reading List Source URL: cmb.bio.uni-goettingen.de Language: English - Date: 2016-06-17 09:08:26
157	Structural changes involved in protein binding correlate with intrinsic motions of proteins in the unbound state Dror Tobi and Ivet Bahar* Department of Computational Biology, School of Medicine, University of Pittsburgh Add to Reading List Source URL: www.ccbb.pitt.edu Language: English - Date: 2013-11-27 16:28:42 Cell biology Biology Proteins Chemistry Cell cycle Molecular modelling Protein families Enzyme kinetics Gaussian network model Cyclin-dependent kinase 6 Cyclin Anisotropic Network Model
158	Mobile Interaction and Query Optimization in a Protein-Ligand Data Analysis System Marvin Lapeine, Katherine G. Herbert, Emily Hill, Nina M. Goodey+ + Add to Reading List Source URL: users.drew.edu Language: English - Date: 2013-10-15 10:41:24 Biological databases Bioinformatics Medicinal chemistry BindingDB Database Drug discovery Computational chemistry MicrobesOnline
159	Detection of Functional Modes in Protein Dynamics Jochen S. Hub, Bert L. de Groot* Computational Biomolecular Dynamics Group, Max-Planck-Institute for Biophysical Chemistry, Go¨ttingen, Germany Abstract Proteins frequen Add to Reading List Source URL: www3.mpibpc.mpg.de Language: English - Date: 2009-08-31 04:56:03
160	Identification of functionally active residues in α1B-AR by computational approaches KAPIL JAIN, LOTTEN RAGNARSSON, ÅSA ANDERSSON AND RICHARD LEWIS Division of Chemistry and Structural Biology, Institute for Molecular Add to Reading List Source URL: www.int-conf-chem-structures.org Language: English - Date: 2014-07-07 14:26:56

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