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Peter Cherepanov et al.
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Jing Tang et al.
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Kevin Carayon et al.
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Study of the Conformational Dynamics of the Catalytic Loop of WT and G140A/G149A HIV-1 Integrase Core Domain Using Reversible Digitally Filtered Molecular Dynamics
Sarah L. Williams et al.
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Molecular Basis of Inactive B-RAF(WT) and B-RAF(V600E) Ligand Inhibition, Selectivity and Conformational Stability: An in Silico Study
Filip Fratev et al.
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Catalytically-active complex of HIV-1 integrase with a viral DNA substrate binds anti-integrase drugs
Akram Alian et al.
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HIV-1 Integrase-DNA Recognition Mechanisms
Jacques J. Kessl et al.
VIRUSES-BASEL (2009)
The Terminal (Catalytic) Adenosine of the HIV LTR Controls the Kinetics of Binding and Dissociation of HIV Integrase Strand Transfer Inhibitors
David R. Langley et al.
BIOCHEMISTRY (2008)
Discovery of Raltegravir, a potent, selective orally bioavailable HIV-integrase inhibitor for the treatment of HIV-AIDS infection
Vincenzo Summa et al.
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X. Chen et al.
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Molecular dynamics-solvated interaction energy studies of protein-protein interactions:: The MP1-p14 scaffolding complex
Qizhi Cui et al.
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Characterization of domain-peptide interaction interface: A case study on the amphiphysin-1 SH3 domain
Tingjun Hou et al.
JOURNAL OF MOLECULAR BIOLOGY (2008)
Rapid and accurate prediction of binding free energies for saquinavir-bound HIV-1 proteases
Ileana Stoica et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2008)
Broad Antiretroviral activity and resistance profile of the novel human immunodeficiency virus integrase inhibitor elvitegravir (JTK-303/GS-9137)
Kazuya Shimura et al.
JOURNAL OF VIROLOGY (2008)
In-Silico docking of HIV-1 integrase inhibitors reveals a novel drug type acting on an enzyme/DNA reaction intermediate
Andrea Savarino
RETROVIROLOGY (2007)
Single-particle image reconstruction of a tetramer of HIV integrase bound to DNA
Gang Ren et al.
JOURNAL OF MOLECULAR BIOLOGY (2007)
A quantum mechanics/molecular mechanics study of the protein-ligand interaction for inhibitors of HIV-1 integrase
Claudio N. Alves et al.
CHEMISTRY-A EUROPEAN JOURNAL (2007)
Design, synthesis, and SAR studies of novel and highly active tri-cyclic HIV integrase inhibitors
Haolun Jin et al.
BIOORGANIC & MEDICINAL CHEMISTRY LETTERS (2006)
Probing of HIV-1 integrase/DNA interactions using novel analogs of viral DNA
J Agapkina et al.
JOURNAL OF BIOLOGICAL CHEMISTRY (2006)
Retroviral DNA integration: reaction pathway and critical intermediates
M Li et al.
EMBO JOURNAL (2006)
Novel HIV-1 integrase inhibitors derived from quinolone antibiotics
M Sato et al.
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Evaluating the molecular mechanics Poisson-Boltzmann surface area free energy method using a congeneric series of ligands to p38 MAP kinase
DA Pearlman
JOURNAL OF MEDICINAL CHEMISTRY (2005)
The Amber biomolecular simulation programs
DA Case et al.
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PRALINE: a multiple sequence alignment toolbox that integrates homology-extended and secondary structure information
VA Simossis et al.
NUCLEIC ACIDS RESEARCH (2005)
A three-dimensional model of the human immunodeficiency virus type 1 integration complex
J Wielens et al.
JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN (2005)
Development and testing of a general amber force field
JM Wang et al.
JOURNAL OF COMPUTATIONAL CHEMISTRY (2004)
A point-charge force field for molecular mechanics simulations of proteins based on condensed-phase quantum mechanical calculations
Y Duan et al.
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Insights into protein-protein binding by binding free energy calculation and free energy decomposition for the Ras-Raf and Ras-RaIGDS complexes
H Gohlke et al.
JOURNAL OF MOLECULAR BIOLOGY (2003)
Free energy calculations for theophylline binding to an RNA aptamer: MM-PBSA and comparison of thermodynamic integration methods
H Gouda et al.
BIOPOLYMERS (2003)
Diketo acid inhibitor mechanism and HIV-1 integrase: Implications for metal binding in the active site of phosphotransferase enzymes
JA Grobler et al.
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Use of MM-PBSA in reproducing the binding free energies to HIV-1 RT of TIBO derivatives and predicting the binding mode to HIV-1 RT of efavirenz by docking and MM-PBSA
JM Wang et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2001)
Calculating structures and free energies of complex molecules: Combining molecular mechanics and continuum models
PA Kollman et al.
ACCOUNTS OF CHEMICAL RESEARCH (2000)
Free energy calculations on dimer stability of the HIV protease using molecular dynamics and a continuum solvent model
W Wang et al.
JOURNAL OF MOLECULAR BIOLOGY (2000)
Binding of a diverse set of ligands to avidin and streptavidin: An accurate quantitative prediction of their relative affinities by a combination of molecular mechanics and continuum solvent models
B Kuhn et al.
JOURNAL OF MEDICINAL CHEMISTRY (2000)
Crystal structure of the HIV-1 integrase catalytic core and C-terminal domains: A model for viral DNA binding
JCH Chen et al.
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Three-dimensional structure of the Tn5 synaptic complex transposition intermediate
DR Davies et al.
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Modification of the generalized Born model suitable for macromolecules
A Onufriev et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2000)
X-ray structure of simian immunodeficiency virus integrase containing the core and C-terminal domain (residues 50-293) - An initial glance of the viral DNA binding platform
ZG Chen et al.
JOURNAL OF MOLECULAR BIOLOGY (2000)
Crystal structure of an active two-domain derivative of Rous sarcoma virus integrase
ZN Yang et al.
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Inhibitors of strand transfer that prevent integration and inhibit HIV-1 replication in cells
DJ Hazuda et al.
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