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Nathan M. Lim - Publications

Affiliations: 
Pharmaceutical Sciences University of California, Irvine, Irvine, CA 
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14 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2020 Lim VT, Geragotelis AD, Lim NM, Freites JA, Tombola F, Mobley DL, Tobias DJ. Insights on small molecule binding to the Hv1 proton channel from free energy calculations with molecular dynamics simulations. Scientific Reports. 10: 13587. PMID 32788614 DOI: 10.1038/S41598-020-70369-4  0.39
2020 Lim NM, Osato M, Warren GL, Mobley DL. Fragment pose prediction using non-equilibrium candidate Monte Carlo and molecular dynamics simulations. Journal of Chemical Theory and Computation. PMID 32167763 DOI: 10.1021/Acs.Jctc.9B01096  0.471
2020 Sasmal S, Gill SC, Lim NM, Mobley DL. Sampling conformational changes of bound ligands using Nonequilibrium Candidate Monte Carlo. Journal of Chemical Theory and Computation. PMID 32058713 DOI: 10.1021/Acs.Jctc.9B01066  0.46
2019 Jandova Z, Gill SC, Lim NM, Mobley DL, Oostenbrink C. Binding modes and metabolism of caffeine. Chemical Research in Toxicology. PMID 31132250 DOI: 10.1021/Acs.Chemrestox.9B00030  0.437
2019 Burley KH, Gill SC, Lim NM, Mobley DL. Enhancing Sidechain Rotamer Sampling Using Non-Equilibrium Candidate Monte Carlo. Journal of Chemical Theory and Computation. PMID 30677291 DOI: 10.1021/Acs.Jctc.8B01018  0.426
2019 Lim VT, Lim NM, Geragotelis AD, Freites JA, Tombola F, Mobley DL, Tobias DJ. Computational Insights on Small Molecule Binding to the Hv1 Proton Channel Biophysical Journal. 116: 432a. DOI: 10.1016/J.Bpj.2018.11.2326  0.367
2018 Gill SC, Lim NM, Grinaway PB, Rustenburg AS, Fass J, Ross GA, Chodera JD, Mobley DL. Binding Modes of Ligands Using Enhanced Sampling (BLUES): Rapid Decorrelation of Ligand Binding Modes via Nonequilibrium Candidate Monte Carlo. The Journal of Physical Chemistry. B. PMID 29486559 DOI: 10.1021/Acs.Jpcb.7B11820  0.465
2016 Lim NM, Wang L, Abel R, Mobley DL. Sensitivity in binding free energies due to protein reorganization. Journal of Chemical Theory and Computation. PMID 27462935 DOI: 10.1021/Acs.Jctc.6B00532  0.453
2016 Mobley DL, Abel R, Wang L, Lim N. Examining how protein sampling impacts the convergence of relative binding free energy calculations F1000research. 5. DOI: 10.7490/F1000Research.1111982.1  0.417
2015 Holden JK, Kang S, Hollingsworth SA, Li H, Lim N, Chen S, Huang H, Xue F, Tang W, Silverman RB, Poulos TL. Structure-based design of bacterial nitric oxide synthase inhibitors. Journal of Medicinal Chemistry. 58: 994-1004. PMID 25522110 DOI: 10.1021/Jm501723P  0.324
2014 Holden JK, Lim N, Poulos TL. Identification of redox partners and development of a novel chimeric bacterial nitric oxide synthase for structure activity analyses. The Journal of Biological Chemistry. 289: 29437-45. PMID 25194416 DOI: 10.1074/Jbc.M114.595165  0.325
2014 Mobley DL, Wymer KL, Lim NM, Guthrie JP. Blind prediction of solvation free energies from the SAMPL4 challenge. Journal of Computer-Aided Molecular Design. 28: 135-50. PMID 24615156 DOI: 10.1007/S10822-014-9718-2  0.372
2014 Mobley DL, Liu S, Lim NM, Wymer KL, Perryman AL, Forli S, Deng N, Su J, Branson K, Olson AJ. Blind prediction of HIV integrase binding from the SAMPL4 challenge. Journal of Computer-Aided Molecular Design. 28: 327-45. PMID 24595873 DOI: 10.1007/S10822-014-9723-5  0.418
2013 Liu S, Wu Y, Lin T, Abel R, Redmann JP, Summa CM, Jaber VR, Lim NM, Mobley DL. Lead optimization mapper: automating free energy calculations for lead optimization. Journal of Computer-Aided Molecular Design. 27: 755-70. PMID 24072356 DOI: 10.1007/S10822-013-9678-Y  0.329
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