Yibing Shan
机构: Founding member, D. E. Shaw Research
每年引用次数
引用次数
引用: 14,511
H-指数: 37
I10-指数 : 44
出版物: 52
Millisecond-scale molecular dynamics simulations on Anton
David E Shaw , Ron O Dror , John K Salmon , JP Grossman
ieee international conference on high performance computing data and analytics 39
640
2009
The architecture of EGFR’s basal complexes reveals autoinhibition mechanisms in dimers and oligomers
Laura C. Zanetti-Domingues , Dimitrios Korovesis , Sarah R. Needham , Christopher J. Tynan
Nature Communications 9 ( 1) 4325 -4325
30
2018
Allosteric activation of apicomplexan calcium-dependent protein kinases.
Jessica R. Ingram , Kevin E. Knockenhauer , Benedikt M. Markus , Joseph Mandelbaum
Proceedings of the National Academy of Sciences of the United States of America 112 ( 36) 201505914
33
2015
Correspondence of potentials of mean force in proteins and in liquids
Yibing Shan , Huan-Xiang Zhou
The Journal of Chemical Physics 113 ( 11) 4794 -4798
4
2000
Oncogenic mutations counteract intrinsic disorder in the EGFR kinase and promote receptor dimerization
Yibing Shan , Michael P. Eastwood , Xuewu Zhang , Eric T. Kim
Cell 149 ( 4) 860 -870
231
2012
How does a drug molecule find its target binding site
Yibing Shan , Eric T. Kim , Michael P. Eastwood , Ron O. Dror
Journal of the American Chemical Society 133 ( 24) 9181 -9183
622
2011
Equally potent inhibition of c-Src and Abl by compounds that recognize inactive kinase conformations
Markus A. Seeliger , Pratistha Ranjitkar , Corynn Kasap , Yibing Shan
Cancer Research 69 ( 6) 2384 -2392
168
2009
Assessing the Accuracy of Two Enhanced Sampling Methods Using EGFR Kinase Transition Pathways: The Influence of Collective Variable Choice
Albert C. Pan , Thomas M. Weinreich , Yibing Shan , Daniele P. Scarpazza
Journal of Chemical Theory and Computation 10 ( 7) 2860 -2865
25
2014
Crystal structures of the JAK2 pseudokinase domain and the pathogenic mutant V617F
Rajintha M Bandaranayake , Daniela Ungureanu , Yibing Shan , David E Shaw
Nature Structural & Molecular Biology 19 ( 8) 754 -759
241
2012
Molecular basis for pseudokinase-dependent autoinhibition of JAK2 tyrosine kinase
Yibing Shan , Kavitha Gnanasambandan , Daniela Ungureanu , Eric T Kim
Nature Structural & Molecular Biology 21 ( 7) 579 -584
95
2014
A dynamically coupled allosteric network underlies binding cooperativity in Src kinase
Zachariah H. Foda , Yibing Shan , Eric T. Kim , David E. Shaw
Nature Communications 6 ( 1) 5939 -5939
66
2015
How IGF-1 activates its receptor
Jennifer M Kavran , Jacqueline M McCabe , Patrick O Byrne , Mary Katherine Connacher
eLife 3
104
2014
Structural Basis of AZD9291 Selectivity for EGFR T790M.
Xiao-E Yan , Pelin Ayaz , Su-Jie Zhu , Peng Zhao
Journal of Medicinal Chemistry 63 ( 15) 8502 -8511
46
2020
IRAK4 Dimerization and trans-Autophosphorylation Are Induced by Myddosome Assembly
Ryan Ferrao , Hao Zhou , Yibing Shan , Qun Liu
Molecular Cell 55 ( 6) 891 -903
67
2014
Membrane Interaction of Bound Ligands Contributes to the Negative Binding Cooperativity of the EGF Receptor
Anton Arkhipov , Yibing Shan , Eric T. Kim , David E. Shaw
PLoS Computational Biology 10 ( 7) e1003742
28
2014
Prediction of protein interaction sites from sequence profile and residue neighbor list
Huan-Xiang Zhou , Yibing Shan
Proteins 44 ( 3) 336 -343
398
2001
Structural models of full-length JAK2 kinase
Pelin Ayaz , Henrik M. Hammarén , Juuli Raivola , Dina Sharon
bioRxiv 727727
3
2019
Scalable Algorithms for Molecular Dynamics Simulations on Commodity Clusters
Kevin J Bowers , Edmond Chow , Huafeng Xu , Ron O Dror
conference on high performance computing (supercomputing)
2,350
2006
High-throughput pairwise point interactions in Anton, a specialized machine for molecular dynamics simulation
Richard H. Larson , John K. Salmon , Ron O. Dror , Martin M. Deneroff
high-performance computer architecture 331 -342
25
2008
EGFR oligomerization organizes kinase-active dimers into competent signalling platforms.
Sarah R. Needham , Selene K. Roberts , Anton Arkhipov , Venkatesh P. Mysore
Nature Communications 7 ( 1) 13307 -13307
87
2016