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Dr. Aqeel Ahmed
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CSAR Dataset Release 2012: Ligands, affinities, complexes, and docking decoys.
JB Dunbar, RD Smith, KL Damm-Ganamet, A Ahmed, EX Esposito, ...
Journal of chemical information and modeling, DOI: 10.1021/ci4000486, 2013
1212013
Multiscale modeling of macromolecular conformational changes combining concepts from rigidity and elastic network theory
A Ahmed, H Gohlke
Proteins: Structure, Function, and Bioinformatics 63 (4), 1038-1051, 2006
1092006
Recent improvements to Binding MOAD: a resource for protein–ligand binding affinities and structures
A Ahmed, RD Smith, JJ Clark, JB Dunbar Jr, HA Carlson
Nucleic acids research 43 (D1), D465-D469, 2015
1082015
CSAR 2014: a benchmark exercise using unpublished data from pharma
HA Carlson, RD Smith, KL Damm-Ganamet, JA Stuckey, A Ahmed, ...
Journal of chemical information and modeling 56 (6), 1063-1077, 2016
1072016
Excited states of ribosome translocation revealed through integrative molecular modeling
PC Whitford, A Ahmed, Y Yu, SP Hennelly, F Tama, CMT Spahn, ...
Proceedings of the National Academy of Sciences 108 (47), 18943-18948, 2011
992011
NMSim web server: integrated approach for normal mode-based geometric simulations of biologically relevant conformational transitions in proteins
DM Krüger, A Ahmed, H Gohlke
Nucleic acids research 40 (W1), W310-W316, 2012
932012
A normal mode-based geometric simulation approach for exploring biologically relevant conformational transitions in proteins
A Ahmed, F Rippmann, G Barnickel, H Gohlke
Journal of Chemical Information and Modeling 51 (7), 1604-1622, 2011
732011
Molecular model of a soluble guanylyl cyclase fragment determined by small-angle X-ray scattering and chemical cross-linking
BG Fritz, SA Roberts, A Ahmed, L Breci, W Li, A Weichsel, JL Brailey, ...
Biochemistry 52 (9), 1568-1582, 2013
692013
Updates to binding MOAD (mother of all databases): polypharmacology tools and their utility in drug repurposing
RD Smith, JJ Clark, A Ahmed, ZJ Orban, JB Dunbar Jr, HA Carlson
Journal of molecular biology 431 (13), 2423-2433, 2019
652019
CSAR benchmark exercise 2013: evaluation of results from a combined computational protein design, docking, and scoring/ranking challenge
RD Smith, KL Damm-Ganamet, JB Dunbar Jr, A Ahmed, K Chinnaswamy, ...
Journal of chemical information and modeling 56 (6), 1022-1031, 2016
582016
Large‐scale comparison of protein essential dynamics from molecular dynamics simulations and coarse‐grained normal mode analyses
A Ahmed, S Villinger, H Gohlke
Proteins: Structure, Function, and Bioinformatics 78 (16), 3341-3352, 2010
522010
Protein flexibility and mobility in structure-based drug design
A Ahmed, S Kazemi, H Gohlke
Frontiers in Drug Design & Discovery 3 (1), 455-476, 2007
472007
Consensus among flexible fitting approaches improves the interpretation of cryo-EM data
A Ahmed, PC Whitford, KY Sanbonmatsu, F Tama
Journal of structural biology 177 (2), 561-570, 2012
402012
Consensus among multiple approaches as a reliability measure for flexible fitting into cryo-EM data
A Ahmed, F Tama
Journal of structural biology 182, 67-77, 2013
252013
Egg enumeration, incubation, hatching and development of the “Miracle Fish” Oreochromis niloticus, in the Sudan
AA Ahmed, MS Abdallaa, TT George
AAC Special Publication 12, 60-64, 2007
172007
Multiscale modeling of macromolecular conformational changes
A Ahmed, H Gohlke
Chemistry central journal 3 (1), P53, 2009
102009
Final report of the project of assessment of Jebel Aulia reservoir fisheries
AA Ahmed
Fisheries Research Cooperation. Khartoum, 1985
71985
Evaluation of Some Man-Made Forests at Al-Jabal Al-Akhdar in Libya
O Mohamed, EK Ibrahim, M Ahmed, A Hosney, AA Ahmed
Alexandria Journal of Agricultural Sciences 64 (3), 173-194, 2019
12019
EFFICIENCY OF CERTAIN PLANT EXTRACTS AGAINST CERATITIS CAPITA TA (WIED.) AND BACTROCERA ZONATA (SAUNDERS)(DIPTERA: TEPHRITIDAE)
AH HANAFY, AA AHMED, AMZ MOSALLAM, AHM IBRAHIM
Egyptian Journal of Agricultural Research 86 (3), 861-870, 2008
12008
Study of Conformational Polymorphism of Flexible Sulfonamides and Sulfoesters having Alternating Electron Rich and Electron Deficient Aromatics
RL Gawade, DK Chakravarty, A Kotmale, E Sangtani, PV Joshi, A Ahmed, ...
Dedicated to my Beloved Family....., 165, 2016
2016
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Articles 1–20