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Lupyan, Dmitry
18  results:
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1

Target‐template relationships in protein structure predicti..:

Lihan, Muyun ; Lupyan, Dmitry ; Oehme, Daniel
Protein Science.  32 (2023)  2 - p. , 2023
Link: https://doi.org/10.1002/..
 
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2

Toward Atomistic Modeling of Irreversible Covalent Inhibito..:

Yu, Haoyu S. ; Gao, Cen ; Lupyan, Dmitry...
Journal of Chemical Information and Modeling.  59 (2019)  9 - p. 3955-3967 , 2019
Link: https://doi.org/10.1021/..
 
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3

Accurate and Reliable Prediction of Relative Ligand Binding..:

Wang, Lingle ; Wu, Yujie ; Deng, Yuqing...
Journal of the American Chemical Society.  137 (2015)  7 - p. 2695-2703 , 2015
Link: https://doi.org/10.1021/..
 
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4

OPLS3: A Force Field Providing Broad Coverage of Drug-like ..:

Harder, Edward ; Damm, Wolfgang ; Maple, Jon...
Journal of Chemical Theory and Computation.  12 (2015)  1 - p. 281-296 , 2015
Link: https://doi.org/10.1021/..
 
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5

Erratum to: Close intramolecular sulfur–oxygen contacts: mo..:

Lupyan, Dmitry ; Abramov, Yuriy A. ; Sherman, Woody
Journal of Computer-Aided Molecular Design.  27 (2013)  3 - p. 293-293 , 2013
Link: https://doi.org/10.1007/..
 
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6

Close intramolecular sulfur–oxygen contacts: modified force..:

Lupyan, Dmitry ; Abramov, Yuriy A. ; Sherman, Woody
Journal of Computer-Aided Molecular Design.  26 (2012)  11 - p. 1195-1205 , 2012
Link: https://doi.org/10.1007/..
 
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7

A Role for a Specific Cholesterol Interaction in Stabilizin..:

Lyman, Edward ; Higgs, Chris ; Kim, Byungchan...
Structure.  17 (2009)  12 - p. 1660-1668 , 2009
Link: https://doi.org/10.1016/..
 
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8

Effective Mast Cell Degranulating Peptide Inhibitors of the..:

Buku, Angeliki ; Keselman, Inna ; Lupyan, Dmitry..
Chemical Biology & Drug Design.  72 (2008)  2 - p. 133-139 , 2008
Link: https://doi.org/10.1111/..
 
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9

Phosphoinositide-mediated gating of inwardly rectifying K+ ..:

Logothetis, Diomedes E. ; Jin, Taihao ; Lupyan, Dmitry.
Pflügers Archiv - European Journal of Physiology.  455 (2007)  1 - p. 83-95 , 2007
Link: https://doi.org/10.1007/..
 
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10

Diverse Kir modulators act in close proximity to residues i..:

Logothetis, Diomedes E. ; Lupyan, Dmitry ; Rosenhouse‐Dantsker, Avia
The Journal of Physiology.  582 (2007)  3 - p. 953-965 , 2007
Link: https://doi.org/10.1113/..
 
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11

An Analysis of Core Deformations in Protein Superfamilies:

Leo-Macias, Alejandra ; Lopez-Romero, Pedro ; Lupyan, Dmitry..
Biophysical Journal.  88 (2005)  2 - p. 1291-1299 , 2005
Link: https://doi.org/10.1529/..
 
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12

A new progressive-iterative algorithm for multiple structur..:

Lupyan, Dmitry ; Leo-Macias, Alejandra ; Ortiz, Angel R.
Bioinformatics.  21 (2005)  15 - p. 3255-3263 , 2005
Link: https://doi.org/10.1093/..
 
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13

Core deformations in protein families: a physical perspecti..:

Leo-Macias, Alejandra ; Lopez-Romero, Pedro ; Lupyan, Dmitry..
Biophysical Chemistry.  115 (2005)  2-3 - p. 125-128 , 2005
Link: https://doi.org/10.1016/..
 
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14

Improving the Accuracy of Protein Thermostability Predictio..:

Duan, Jianxin ; Lupyan, Dmitry ; Wang, Lingle
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC7335905/.  , 2020
Link: http://www.ncbi.nlm.nih...
 
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15

Accurate and Reliable Prediction of Relative Ligand Binding..:

Wang, Lingle ; Wu, Yujie ; Deng, Yuqing...
qt5061663w.  , 2015
Link: https://escholarship.org..
 
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