Search Results

Molecular Recognition and Drug-Lead Identification: What Can Molecular Simulations Tell Us?

Authors: Morra, G.; Genoni, A.; Neves, M. A.C.; Merz Jr., K. M.; Colombo, G.

Source: Current Medicinal Chemistry, Volume 17, Number 1, January 2010 , pp. 25-41(17)

Publisher: Bentham Science Publishers

Systematic computational analysis of structure-activity relationships: concepts, challenges and recent advances

Authors: Peltason, Lisa; Bajorath, Jürgen

Source: Future Medicinal Chemistry, Volume 1, Number 3, June 2009 , pp. 451-466(16)

Publisher: Future Science

Editorial [Hot topic: Exploring Novel Chemical Space Through the Use of Computational and Structural Biology (Guest Editor: Alan C. Rigby)]

Author: Rigby, Alan C.

Source: Combinatorial Chemistry & High Throughput Screening, Volume 12, Number 10, December 2009 , pp. 927-928(2)

Publisher: Bentham Science Publishers

Meet the Guest Editor

Author: Rigby, Alan C.

Source: Combinatorial Chemistry & High Throughput Screening, Volume 12, Number 10, December 2009 , pp. 1017-1017(1)

Publisher: Bentham Science Publishers

Editorial [Hot topic: In Silico Approaches in G Protein-Coupled Receptors (GPCRs) Drug Discovery: Quo Vadis? (Executive Editor: Stefano Moro)]

Author: Moro, Stefano

Source: Current Pharmaceutical Design, Volume 15, Number 35, December 2009 , pp. 3992-3993(2)

Publisher: Bentham Science Publishers

Editorial [Hot topic: Inhibition and Function of Heat Shock Proteins 70 and 90 (Guest Editor: Brian S. J. Blagg)]

Author: Blagg, Brian S.J.

Source: Current Topics in Medicinal Chemistry, Volume 9, Number 15, November 2009 , pp. 1335-1336(2)

Publisher: Bentham Science Publishers

Computational Nanotechnology in Biomedical Nanometrics and Nano-Materials

Author: Lone, Baliram

Source: Journal of Computational and Theoretical Nanoscience, Volume 6, Number 10, October 2009 , pp. 2146-2151(6)

Publisher: American Scientific Publishers

Exchanging the ionic partner in a linear Paul trap: the MgH⁺(X¹Σ⁺) ion with neutral Rb(²S)

Authors: Tacconi, M.; Gianturco, F. A.

Source: The European Physical Journal D - Atomic, Molecular and Optical Physics, Volume 54, Number 1, July 2009 , pp. 31-41(11)

Publisher: Springer

Molecular Dynamics as a Tool in Rational Drug Design: Current Status and Some Major Applications

Author: Galeazzi, Roberta

Source: Current Computer - Aided Drug Design, Volume 5, Number 4, December 2009 , pp. 225-240(16)

Publisher: Bentham Science Publishers

Computational Chemistry: Abstracts 106-128

Source: CHIMIA International Journal for Chemistry, Volume 63, Number 7, August 2009 , pp. 407-412(6)

Publisher: Swiss Chemical Society

Validation of a grid independent spray model and fuel chemistry mechanism for low temperature diesel combustion

Authors: Yoshikawa, Takeshi; Reitz, Rolf D.

Source: International Journal of Spray and Combustion Dynamics, Volume 1, Number 3, September 2009 , pp. 283-316(34)

Publisher: Multi-Science Publishing Co Ltd

Structure of unsteady partially premixed flames and the existence of state relationships

Author: Aggarwal, Suresh K.

Source: International Journal of Spray and Combustion Dynamics, Volume 1, Number 3, September 2009 , pp. 339-363(25)

Publisher: Multi-Science Publishing Co Ltd

Conformational Sampling and Energetics of Drug-Like Molecules

Authors: Foloppe, Nicolas; Chen, I-Jen

Source: Current Medicinal Chemistry, Volume 16, Number 26, September 2009 , pp. 3381-3413(33)

Publisher: Bentham Science Publishers

Reaction Zone Weakening Effects under Hot and Diluted Oxidant Stream Conditions

Authors: Medwell, Paul; Kalt, Peter; Dally, Bassam

Source: Combustion Science and Technology, Volume 181, Number 7, July 2009 , pp. 937-953(17)

Publisher: Taylor and Francis Ltd

A multi-objective evolutionary algorithm for protein structure prediction with immune operators

Authors: Judy, M. V.; Ravichandran, K. S.; Murugesan, K.

Source: Computer Methods in Biomechanics and Biomedical Engineering, Volume 12, Number 4, August 2009 , pp. 407-413(7)

Publisher: Taylor and Francis Ltd

Editorial [Hot Topic: The Medicinal Chemistry of New Agents to Treat Obesity (Guest Editor: Jinhwa Lee)]

Author: Lee, Jinhwa

Source: Current Topics in Medicinal Chemistry, Volume 9, Number 6, April 2009 , pp. 465-465(1)

Publisher: Bentham Science Publishers

Finite element modelling of nano-structured materials

Authors: Abd-Rabou, Mahmoud; Nahas, Mahmopud Nadim

Source: International Journal of Nano and Biomaterials, Volume 2, Numbers 1-2, 8 August 2009 , pp. 263-272(10)

Publisher: Inderscience Publishers

Relativistic hybrid density functional calculations of indirect nuclear spin-spin coupling tensors — Comparison with experiment for diatomic alkali metal halides^1,2

Authors: Bryce, David L.; Autschbach, Jochen

Source: Canadian Journal of Chemistry, Volume 87, Number 7, 1 July 2009 , pp. 927-941(15)

Publisher: NRC Research Press

Electronically excited states of XOONO (X=Cl, Br): theoretical studies

Authors: Lesar, A.; Hodoscek, M.

Source: Molecular Physics, Volume 107, Number 7, October 2009 , pp. 693-700(8)

Publisher: Taylor and Francis Ltd

Computational Models for Central Nervous System Penetration

Author: Klon, Anthony E.

Source: Current Computer - Aided Drug Design, Volume 5, Number 2, June 2009 , pp. 71-89(19)

Publisher: Bentham Science Publishers