Year |
Citation |
Score |
2022 |
Joshi DC, Gosse C, Huang SY, Lin JH. A Curvilinear-Path Umbrella Sampling Approach to Characterizing the Interactions Between Rapamycin and Three FKBP12 Variants. Frontiers in Molecular Biosciences. 9: 879000. PMID 35874613 DOI: 10.3389/fmolb.2022.879000 |
0.721 |
|
2020 |
Joshi DC, Lin J. Investigating the Role of Interfacial Waters in Protein-Protein Recognition Mechanism Biophysical Journal. 118: 503a. DOI: 10.1016/J.Bpj.2019.11.2773 |
0.709 |
|
2019 |
Joshi DC, Lin JH. Delineating Protein-Protein Curvilinear Dissociation Pathways and Energetics with Naïve Multiple-Walker Umbrella Sampling Simulations. Journal of Computational Chemistry. PMID 30950525 DOI: 10.1002/Jcc.25821 |
0.737 |
|
2019 |
Joshi DC, Lin J. Multiple-Walker Curvilinear-Path Umbrella Sampling Simulations: to Trace Protein-Protein Dissociation Trajectories and Compute Potential of Mean Force Biophysical Journal. 116: 47a. DOI: 10.1016/J.Bpj.2018.11.295 |
0.721 |
|
2017 |
Chen YH, Lin JH. Can ligands of different functional types induce distinct dynamics in G protein-coupled receptors? Current Topics in Medicinal Chemistry. PMID 28355999 DOI: 10.2174/1568026617666170328100359 |
0.343 |
|
2016 |
Huang N, Lin J. Coordinated Dynamics Orchestrating the DNA Re-Ligation by De-Poisoned Topoisomerase II Biophysical Journal. 110: 361a-362a. DOI: 10.1016/J.Bpj.2015.11.1949 |
0.315 |
|
2014 |
Huang NL, Lin JH. Drug-induced conformational population shifts in topoisomerase-DNA ternary complexes. Molecules (Basel, Switzerland). 19: 7415-28. PMID 24905608 DOI: 10.3390/Molecules19067415 |
0.34 |
|
2013 |
Wang JC, Lin JH. Scoring functions for prediction of protein-ligand interactions. Current Pharmaceutical Design. 19: 2174-82. PMID 23016847 DOI: 10.2174/1381612811319120005 |
0.402 |
|
2012 |
Lin JH. Target prediction of small molecules with information of key molecular interactions. Current Topics in Medicinal Chemistry. 12: 1903-10. PMID 23116470 DOI: 10.2174/156802612804547362 |
0.345 |
|
2012 |
Wang JC, Chu PY, Chen CM, Lin JH. idTarget: a web server for identifying protein targets of small chemical molecules with robust scoring functions and a divide-and-conquer docking approach. Nucleic Acids Research. 40: W393-9. PMID 22649057 DOI: 10.1093/Nar/Gks496 |
0.356 |
|
2012 |
Lin J. Mechanical Transmission Between the γ-Subunit of F1 and the C-Ring of Membrane-Bound FO of ATP Synthase: A Molecular Dynamics Study Biophysical Journal. 102: 712a. DOI: 10.1016/J.Bpj.2011.11.3861 |
0.349 |
|
2011 |
Wang JC, Lin JH, Chen CM, Perryman AL, Olson AJ. Robust scoring functions for protein-ligand interactions with quantum chemical charge models. Journal of Chemical Information and Modeling. 51: 2528-37. PMID 21932857 DOI: 10.1021/Ci200220V |
0.315 |
|
2011 |
Lin JH. Accommodating protein flexibility for structure-based drug design. Current Topics in Medicinal Chemistry. 11: 171-8. PMID 20939792 DOI: 10.2174/156802611794863580 |
0.434 |
|
2009 |
Lee PH, Kuo KL, Chu PY, Liu EM, Lin JH. SLITHER: a web server for generating contiguous conformations of substrate molecules entering into deep active sites of proteins or migrating through channels in membrane transporters. Nucleic Acids Research. 37: W559-64. PMID 19433508 DOI: 10.1093/Nar/Gkp359 |
0.371 |
|
2007 |
Amaro RE, Minh DD, Cheng LS, Lindstrom WM, Olson AJ, Lin JH, Li WW, McCammon JA. Remarkable loop flexibility in avian influenza N1 and its implications for antiviral drug design. Journal of the American Chemical Society. 129: 7764-5. PMID 17539643 DOI: 10.1021/Ja0723535 |
0.446 |
|
2006 |
Perryman AL, Lin JH, Andrew McCammon J. Optimization and computational evaluation of a series of potential active site inhibitors of the V82F/I84V drug-resistant mutant of HIV-1 protease: an application of the relaxed complex method of structure-based drug design. Chemical Biology & Drug Design. 67: 336-45. PMID 16784458 DOI: 10.1111/J.1747-0285.2006.00382.X |
0.34 |
|
2006 |
Perryman AL, Lin JH, McCammon JA. Restrained molecular dynamics simulations of HIV-1 protease: the first step in validating a new target for drug design. Biopolymers. 82: 272-84. PMID 16508951 DOI: 10.1002/Bip.20497 |
0.454 |
|
2006 |
Vigil D, Lin JH, Sotriffer CA, Pennypacker JK, McCammon JA, Taylor SS. A simple electrostatic switch important in the activation of type I protein kinase A by cyclic AMP. Protein Science : a Publication of the Protein Society. 15: 113-21. PMID 16322564 DOI: 10.1110/Ps.051723606 |
0.491 |
|
2006 |
Giorgione JR, Lin JH, McCammon JA, Newton AC. Increased membrane affinity of the C1 domain of protein kinase Cdelta compensates for the lack of involvement of its C2 domain in membrane recruitment. The Journal of Biological Chemistry. 281: 1660-9. PMID 16293612 DOI: 10.1074/Jbc.M510251200 |
0.438 |
|
2004 |
Perryman AL, Lin JH, McCammon JA. HIV-1 protease molecular dynamics of a wild-type and of the V82F/I84V mutant: possible contributions to drug resistance and a potential new target site for drugs. Protein Science : a Publication of the Protein Society. 13: 1108-23. PMID 15044738 DOI: 10.1110/Ps.03468904 |
0.457 |
|
2003 |
Lin JH, Perryman AL, Schames JR, McCammon JA. The relaxed complex method: Accommodating receptor flexibility for drug design with an improved scoring scheme. Biopolymers. 68: 47-62. PMID 12579579 DOI: 10.1002/Bip.10218 |
0.46 |
|
2002 |
Lin JH, Baker NA, McCammon JA. Bridging implicit and explicit solvent approaches for membrane electrostatics. Biophysical Journal. 83: 1374-9. PMID 12202363 DOI: 10.1016/S0006-3495(02)73908-8 |
0.465 |
|
2002 |
Lin JH, Perryman AL, Schames JR, McCammon JA. Computational drug design accommodating receptor flexibility: the relaxed complex scheme. Journal of the American Chemical Society. 124: 5632-3. PMID 12010024 DOI: 10.1021/Ja0260162 |
0.46 |
|
2000 |
Lin JH, Baumgaertner A. Stability of a melittin pore in a lipid bilayer: a molecular dynamics study. Biophysical Journal. 78: 1714-24. PMID 10733954 DOI: 10.1016/S0006-3495(00)76723-3 |
0.578 |
|
2000 |
Lin JH, Baumgaertner A. Molecular dynamics simulations of hydrophobic and amphiphatic proteins interacting with a lipid bilayer membrane Computational and Theoretical Polymer Science. 10: 97-102. DOI: 10.1016/S1089-3156(99)00062-8 |
0.603 |
|
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