Search Result "local move Monte Carlo sampling"


The Early Events of the Protein Folding Process

Journal: Current Physical Chemistry
Volume: 3 Issue: 1 Year: 2013 Page: 69-76
Author(s): J. P. Dal Molin,Antonio Caliri

Drug Design for Protein Kinases and Phosphatases: Flexible-Receptor Docking, Binding Affinity and Specificity, and Drug-Binding Kinetics

Journal: Current Pharmaceutical Design
Volume: 19 Issue: 26 Year: 2013 Page: 4739-4754
Author(s): Chung F. Wong,Sneha Bairy

Journal: Current Medicinal Chemistry
Volume: 20 Issue: 1 Year: 2013 Page: 2296-2314
Author(s): S.F. Sousa, A.J.M. Ribeiro, J.T.S. Coimbra, R.P.P. Neves, S.A. Martins, N.S.H.N. Moorthy, P.A. Fernandes, M.J. Ramos

Journal: Current Inorganic Chemistry
Volume: 3 Issue: 1 Year: 2013 Page: 23-34
Author(s): Giorgio Spinolo, Ilenia G. Tredici, Sonia Pin

Recent Advances in Mathematical Modeling and Simulation of DNA Replication Process.

Journal: Current Bioinformatics
Volume: 8 Issue: 5 Year: 2013 Page: 591-602
Author(s): Guoli Ji,Yong Zeng,Jinting Guan,Qingshun Q. Li,Congting Ye,Yunlong Liu

Treating Conformational Flexibility in Protein-Protein Docking

Journal: Current Physical Chemistry
Volume: 3 Issue: 1 Year: 2013 Page: 27-35
Author(s): Mykhaylo Berynskyy,Rebecca C. Wade

Correct Protonation States and Relevant Waters = Better Computational Simulations?

Journal: Current Pharmaceutical Design
Volume: 19 Issue: 2 Year: 2013 Page: 4291-4309
Author(s): Francesca Spyrakis, Luca Dellafiora, Chenxiao Da, Glen E. Kellogg, Pietro Cozzini

Disorder in Oxides

Journal: Current Inorganic Chemistry
Volume: 3 Issue: 1 Year: 2013 Page: 35-49
Author(s): Marco Scavini, Mauro Coduri

Methods and Applications of Structure Based Pharmacophores in Drug Discovery

Journal: Current Topics in Medicinal Chemistry
Volume: 13 Issue: 9 Year: 2013 Page: 1036-1047
Author(s): Somayeh Pirhadi, Fereshteh Shiri, Jahan B. Ghasemi

Effects of the Protonation State of the Catalytic Residues and Ligands Upon Binding and Recognition in Targeted Proteins of HIV-1 and Influenza Viruses

Journal: Current Pharmaceutical Design
Volume: 19 Issue: 2 Year: 2013 Page: 4276-4290
Author(s): Nadtanet Nunthaboot, Thanyada Rungrotmongkol, Ornjira Aruksakunwong, Supot Hannongbua

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