Artemisinin activity-based probes identify multiple molecular targets within the asexual stage of the malaria parasites <i>Plasmodium falciparum</i> 3D7论文
Proceedings of the National Academy of Sciences2016引用: 265
<i>g_mmpbsa</i>—A GROMACS Tool for High-Throughput MM-PBSA Calculations论文
Journal of Chemical Information and Modeling2014引用: 4.7K
Oral Druggable Space beyond the Rule of 5: Insights from Drugs and Clinical Candidates论文
Chemistry & Biology2014引用: 779
Designing the next generation of medicines for malaria control and eradication论文
Malaria Journal2013引用: 281
Review of the clinical pharmacokinetics of artesunate and its active metabolite dihydroartemisinin following intravenous, intramuscular, oral or rectal administration论文
Malaria Journal2011引用: 230
Virtual Screening for HIV Protease Inhibitors: A Comparison of AutoDock 4 and Vina论文
PLoS ONE2010引用: 227
AutoDock4 and AutoDockTools4: Automated docking with selective receptor flexibility论文
Journal of Computational Chemistry2009引用: 24.6K
Validation of Molecular Docking Programs for Virtual Screening against Dihydropteroate Synthase论文
Journal of Chemical Information and Modeling2009引用: 624
MM-GB/SA Rescoring of Docking Poses in Structure-Based Lead Optimization论文
Journal of Chemical Information and Modeling2008引用: 217
Molecular Dynamics and Free Energy Studies on the Wild-type and Double Mutant HIV-1 Protease Complexed with Amprenavir and Two Amprenavir-Related Inhibitors: Mechanism for Binding and Drug Resistance论文
Journal of Medicinal Chemistry2007引用: 260
Anisotropic, Polarizable Molecular Mechanics Studies of Inter- and Intramolecular Interactions and Ligand−Macromolecule Complexes. A Bottom-Up Strategy论文
Journal of Chemical Theory and Computation2007引用: 355
Current perspectives on the mechanism of action of artemisinins论文
International Journal for Parasitology2006引用: 321
Contribution of Conformer Focusing to the Uncertainty in Predicting Free Energies for Protein−Ligand Binding论文
Journal of Medicinal Chemistry2006引用: 264
From Artemisinin to New Artemisinin Antimalarials: Biosynthesis, Extraction, Old and New Derivatives, Stereochemistry and Medicinal Chemistry Requirements论文
Current Topics in Medicinal Chemistry2006引用: 222
A single amino acid residue can determine the sensitivity of SERCAs to artemisinins论文
Nature Structural & Molecular Biology2005引用: 257
Docking and scoring in virtual screening for drug discovery: methods and applications论文
Nature Reviews Drug Discovery2004引用: 4.0K
Antimalarial drug discovery: efficacy models for compound screening论文
Nature Reviews Drug Discovery2004引用: 864
Simple and Inexpensive Fluorescence-Based Technique for High-Throughput Antimalarial Drug Screening论文
Antimicrobial Agents and Chemotherapy2004引用: 1.2K
Classification Analysis of P-Glycoprotein Substrate Specificity论文
Journal of drug targeting2003引用: 255
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论文
Journal of the American Chemical Society2001引用: 709
第 1-20 条,共 26 条
上一页下一页