Steered molecular dynamics and mechanical functions of proteins B Isralewitz, M Gao, K Schulten Current opinion in structural biology 11 (2), 224-230, 2001 | 1219 | 2001 |
Structure and functional significance of mechanically unfolded fibronectin type III1 intermediates M Gao, D Craig, O Lequin, ID Campbell, V Vogel, K Schulten Proceedings of the National Academy of Sciences 100 (25), 14784-14789, 2003 | 259 | 2003 |
How the headpiece hinge angle is opened: new insights into the dynamics of integrin activation E Puklin-Faucher, M Gao, K Schulten, V Vogel The Journal of cell biology 175 (2), 349, 2006 | 241 | 2006 |
Identifying unfolding intermediates of FN-III10 by steered molecular dynamics M Gao, D Craig, V Vogel, K Schulten Journal of molecular biology 323 (5), 939-950, 2002 | 218 | 2002 |
AF2Complex predicts direct physical interactions in multimeric proteins with deep learning M Gao, D Nakajima An, JM Parks, J Skolnick Nature communications 13 (1), 1744, 2022 | 192 | 2022 |
AlphaFold 2: why it works and its implications for understanding the relationships of protein sequence, structure, and function J Skolnick, M Gao, H Zhou, S Singh Journal of chemical information and modeling 61 (10), 4827-4831, 2021 | 170 | 2021 |
DBD-Hunter: a knowledge-based method for the prediction of DNA–protein interactions M Gao, J Skolnick Nucleic acids research 36 (12), 3978-3992, 2008 | 163 | 2008 |
Structural space of protein–protein interfaces is degenerate, close to complete, and highly connected M Gao, J Skolnick Proceedings of the National Academy of Sciences 107 (52), 22517-22522, 2010 | 154 | 2010 |
Steered molecular dynamics studies of titin I1 domain unfolding M Gao, M Wilmanns, K Schulten Biophysical journal 83 (6), 3435-3445, 2002 | 149 | 2002 |
A comprehensive survey of small-molecule binding pockets in proteins M Gao, J Skolnick PLoS computational biology 9 (10), e1003302, 2013 | 146 | 2013 |
Comprehensive prediction of drug-protein interactions and side effects for the human proteome H Zhou, M Gao, J Skolnick Scientific reports 5 (1), 11090, 2015 | 144 | 2015 |
Tuning the mechanical stability of fibronectin type III modules through sequence variations D Craig, M Gao, K Schulten, V Vogel Structure 12 (1), 21-30, 2004 | 139 | 2004 |
APoc: large-scale identification of similar protein pockets M Gao, J Skolnick Bioinformatics 29 (5), 597-604, 2013 | 125 | 2013 |
Structural insights into how the MIDAS ion stabilizes integrin binding to an RGD peptide under force D Craig, M Gao, K Schulten, V Vogel Structure 12 (11), 2049-2058, 2004 | 125 | 2004 |
Insights into disease-associated mutations in the human proteome through protein structural analysis M Gao, H Zhou, J Skolnick Structure 23 (7), 1362-1369, 2015 | 119 | 2015 |
A threading-based method for the prediction of DNA-binding proteins with application to the human genome M Gao, J Skolnick PLoS computational biology 5 (11), e1000567, 2009 | 105 | 2009 |
Mechanical strength of the titin Z1Z2-telethonin complex EH Lee, M Gao, N Pinotsis, M Wilmanns, K Schulten Structure 14 (3), 497-509, 2006 | 103 | 2006 |
The distribution of ligand-binding pockets around protein-protein interfaces suggests a general mechanism for pocket formation M Gao, J Skolnick Proceedings of the National Academy of Sciences 109 (10), 3784-3789, 2012 | 97 | 2012 |
Unfolding of titin domains studied by molecular dynamics simulations M Gao, H Lu, K Schulten Journal of Muscle Research & Cell Motility 23 (5), 513-521, 2002 | 94 | 2002 |
Molecular mechanisms of cellular mechanics M Gao, M Sotomayor, E Villa, EH Lee, K Schulten Physical Chemistry Chemical Physics 8 (32), 3692-3706, 2006 | 93 | 2006 |