Search Results

Development of additive isotropic site potential for exchange-repulsion energy, based on intermolecular perturbation theory

Authors: Yokogawa, Daisuke; Sato, Hirofumi; Gusarov, Sergey; Kovalenko, Andriy

Source: Canadian Journal of Chemistry, Volume 87, Number 12, 1 December 2009 , pp. 1727-1732(6)

Publisher: NRC Research Press

Molecular dynamics simulations of N-methylacetamide (NMA) in water by the ABEEM/MM model

Authors: Qian, Ping; Lu, Li-Nan; Yang, Zhong-Zhi

Source: Canadian Journal of Chemistry, Volume 87, Number 12, 1 December 2009 , pp. 1738-1746(9)

Publisher: NRC Research Press

Incorporating receptor flexibility in the molecular design of protein interfaces

Authors: Li, Liwei; Liang, Shide; Pilcher, Meaghan M.; Meroueh, Samy O.

Source: Protein Engineering, Design and Selection, Volume 22, Number 9, 2 September 2009 , pp. 575-586(12)

Publisher: Oxford University Press

Spherical Nanoparticle-Substrate Adhesion Interaction Simulations Utilizing Molecular Dynamics

Authors: Murthy Peri, M.D.; Cetinkaya, Cetin

Source: Journal of Adhesion Science and Technology, Volume 23, Numbers 13-14, 2009 , pp. 1723-1738(16)

Publisher: VSP, an imprint of Brill

Comparative Binding Analysis of Monoclonal Antibodies Against Native and Mutant Type in ErbB2 Receptor: A Theoretical Modeling Approach

Authors: Rajasekaran, R.; Rao, Sethumadhavan

Source: Current Pharmaceutical Biotechnology, Volume 10, Number 7, November 2009 , pp. 701-708(8)

Publisher: Bentham Science Publishers

High-resolution infrared spectra of H₂-Ne and D₂-Ne van der Waals complexes

Author: McKellar, A. R.W.

Source: Canadian Journal of Physics, Volume 87, Number 5, 1 May 2009 , pp. 411-416(6)

Publisher: NRC Research Press

Combined homology modelling and evolutionary significance evaluation of missense mutations in blood clotting factor VIII to highlight aspects of structure and function

Authors: MARKOFF, A.; GERKE, V.; BOGDANOVA, N.

Source: Haemophilia, Volume 15, Number 4, July 2009 , pp. 932-941(10)

Publisher: Blackwell Publishing

Solubility-dependent structural formation of a 25-residue, natively unfolded protein, induced by addition of a seven-residue peptide fragment

Authors: Araki, Mitsugu; Tamura, Atsuo

Source: FEBS Journal, Volume 276, Number 8, April 2009 , pp. 2336-2347(12)

Publisher: Blackwell Publishing

Structure of the atrial natriuretic peptide receptor extracellular domain in the unbound and hormone-bound states by single-particle electron microscopy

Authors: Ogawa, Haruo; Qiu, Yue; Huang, Liming; Tam-Chang, Suk-Wah; Young, Howard S.; Misono, Kunio S.

Source: FEBS Journal, Volume 276, Number 5, March 2009 , pp. 1347-1355(9)

Publisher: Blackwell Publishing

Electrochemistry of Single-Walled Carbon Nanotubes-Viologen Composites on the Glass Carbon Electrodes

Authors: Wang, Xu; Liu, Bing; Chen, Meng; Qian, Dong-Jin

Source: Journal of Nanoscience and Nanotechnology, Volume 9, Number 2, February 2009 , pp. 1441-1444(4)

Publisher: American Scientific Publishers

A NMR strategy to unambiguously distinguish nucleic acid hairpin and duplex conformations applied to a Xist RNA A-repeat

Authors: Duszczyk, Malgorzata M.; Zanier, Katia; Sattler, Michael

Source: Nucleic Acids Research, Volume 36, Number 22, 3 December 2008 , pp. 7068-7077(10)

Publisher: Oxford University Press

Theoretical determination of the potassium far-wing photoabsorption spectra

Authors: Talbi, F.; Bouledroua, M.; Alioua, K.

Source: The European Physical Journal D - Atomic, Molecular and Optical Physics, Volume 50, Number 2, December 2008 , pp. 141-151(11)

Publisher: Springer

Modulated multipolar structures in magnetic arrays

Authors: Vedmedenko, E. Y.; Wiesendanger, R.

Source: Philosophical Magazine, Volume 88, Numbers 18-20, June 2008 , pp. 2683-2697(15)

Publisher: Taylor and Francis Ltd

Using molecular dynamic simulation data of calcite in a wide pressure range to calculate some of its thermodynamic properties via some universal equations of state

Authors: Akbarzadeh, Hamed; Shokouhi, Mohammad; Parsafar, Gholam Abbas

Source: Molecular Physics, Volume 106, Numbers 21-23, November 2008 , pp. 2545-2556(12)

Publisher: Taylor and Francis Ltd

Energetics and Structural Properties of Nitrogen Molecules Confined in a Carbon Capsule

Authors: Barajas-Barraza, R.E.; Ramírez-Ruíz, J.A.; Guirado-López, R.A.

Source: Journal of Computational and Theoretical Nanoscience, Volume 5, Number 11, November 2008 , pp. 2255-2263(9)

Publisher: American Scientific Publishers

Vapour-liquid equilibrium of fluids composed by oblate molecules

Authors: Gamez, Francisco; Lago, Santiago; Garzon, Benito; Merkling, Patrick; Vega, Carlos

Source: Molecular Physics, Volume 106, Number 11, June 2008 , pp. 1331-1339(9)

Publisher: Taylor and Francis Ltd

Theoretical study of excited state proton transfer in pyrrole-2-carboxylic acid

Authors: Sahoo, Dibakar; Adhikary, Tirthapratim; Chowdhury, Papia; Chakravorti, Sankar

Source: Molecular Physics, Volume 106, Number 11, June 2008 , pp. 1441-1449(9)

Publisher: Taylor and Francis Ltd

Ab initio potential energy surface and intermolecular vibrational frequencies of C3-Ar complex

Authors: Zhang, Guiqiu; Zang, Dianfeng; Sun, Chuanzhi; Chen, Dezhan

Source: Molecular Physics, Volume 106, Number 11, June 2008 , pp. 1451-1457(7)

Publisher: Taylor and Francis Ltd

De novo design and pharmacophore prediction of AADC (aromatic L-amino acid decarboxylase) inhibitors

Authors: Jayanthi, J.; Usha, V.

Source: International Journal of Medical Engineering and Informatics, Volume 1, Number 1, 13 July 2008 , pp. 73-84(12)

Publisher: Inderscience Publishers

Metallomesogens: Supramolecular Design via Alkane-rich Metal Complexes

Authors: Porta, Brenda; Khamsi, Jamal; Noveron, Juan C.

Source: Current Organic Chemistry, Volume 12, Number 15, October 2008 , pp. 1298-1321(24)

Publisher: Bentham Science Publishers