Chong LT - Search Results

1

Selective, tight-binding inhibitors of integrin alpha4beta1 that inhibit allergic airway responses.

Lin Kc, Ateeq HS, Hsiung SH, Chong LT, Zimmerman CN, Castro A, Lee WC, Hammond CE, Kalkunte S, Chen LL, Pepinsky RB, Leone DR, Sprague AG, Abraham WM, Gill A, Lobb RR, Adams SP. Lin Kc, et al. Among authors: chong lt. J Med Chem. 1999 Mar 11;42(5):920-34. doi: 10.1021/jm980673g. J Med Chem. 1999. PMID: 10072689

2

Computation of electrostatic complements to proteins: a case of charge stabilized binding.

Chong LT, Dempster SE, Hendsch ZS, Lee LP, Tidor B. Chong LT, et al. Protein Sci. 1998 Jan;7(1):206-10. doi: 10.1002/pro.5560070122. Protein Sci. 1998. PMID: 9514276 Free PMC article.

3

Estimating first-passage time distributions from weighted ensemble simulations and non-Markovian analyses.

Suárez E, Pratt AJ, Chong LT, Zuckerman DM. Suárez E, et al. Among authors: chong lt. Protein Sci. 2016 Jan;25(1):67-78. doi: 10.1002/pro.2738. Epub 2015 Sep 9. Protein Sci. 2016. PMID: 26131764 Free PMC article.

4

Effects of high temperature on desolvation costs of salt bridges across protein binding interfaces: similarities and differences between implicit and explicit solvent models.

Salari R, Chong LT. Salari R, et al. Among authors: chong lt. J Phys Chem B. 2012 Mar 1;116(8):2561-7. doi: 10.1021/jp210172b. Epub 2012 Feb 21. J Phys Chem B. 2012. PMID: 22300130

5

Highly Efficient Computation of the Basal kon using Direct Simulation of Protein-Protein Association with Flexible Molecular Models.

Saglam AS, Chong LT. Saglam AS, et al. Among authors: chong lt. J Phys Chem B. 2016 Jan 14;120(1):117-22. doi: 10.1021/acs.jpcb.5b10747. Epub 2015 Dec 30. J Phys Chem B. 2016. PMID: 26673903 Free PMC article.

6

Molecular simulations of mutually exclusive folding in a two-domain protein switch.

Mills BM, Chong LT. Mills BM, et al. Among authors: chong lt. Biophys J. 2011 Feb 2;100(3):756-764. doi: 10.1016/j.bpj.2010.12.3710. Biophys J. 2011. PMID: 21281591 Free PMC article.

7

Simultaneous Computation of Dynamical and Equilibrium Information Using a Weighted Ensemble of Trajectories.

Suárez E, Lettieri S, Zwier MC, Stringer CA, Subramanian SR, Chong LT, Zuckerman DM. Suárez E, et al. Among authors: chong lt. J Chem Theory Comput. 2014 Jul 8;10(7):2658-2667. doi: 10.1021/ct401065r. Epub 2014 Mar 3. J Chem Theory Comput. 2014. PMID: 25246856 Free PMC article.

8

WESTPA: an interoperable, highly scalable software package for weighted ensemble simulation and analysis.

Zwier MC, Adelman JL, Kaus JW, Pratt AJ, Wong KF, Rego NB, Suárez E, Lettieri S, Wang DW, Grabe M, Zuckerman DM, Chong LT. Zwier MC, et al. Among authors: chong lt. J Chem Theory Comput. 2015 Feb 10;11(2):800-9. doi: 10.1021/ct5010615. J Chem Theory Comput. 2015. PMID: 26392815 Free PMC article.

9

WESTPA 2.0: High-Performance Upgrades for Weighted Ensemble Simulations and Analysis of Longer-Timescale Applications.

Russo JD, Zhang S, Leung JMG, Bogetti AT, Thompson JP, DeGrave AJ, Torrillo PA, Pratt AJ, Wong KF, Xia J, Copperman J, Adelman JL, Zwier MC, LeBard DN, Zuckerman DM, Chong LT. Russo JD, et al. Among authors: chong lt. J Chem Theory Comput. 2022 Feb 8;18(2):638-649. doi: 10.1021/acs.jctc.1c01154. Epub 2022 Jan 19. J Chem Theory Comput. 2022. PMID: 35043623 Free PMC article.

10

Path-sampling strategies for simulating rare events in biomolecular systems.

Chong LT, Saglam AS, Zuckerman DM. Chong LT, et al. Curr Opin Struct Biol. 2017 Apr;43:88-94. doi: 10.1016/j.sbi.2016.11.019. Epub 2016 Dec 13. Curr Opin Struct Biol. 2017. PMID: 27984811 Free PMC article. Review.

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