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David Cerutti - Publications

Affiliations: 
2007 University of California, San Diego, La Jolla, CA 
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13 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
2017 Cerutti DS, Debiec KT, Case DA, Chong LT. Links between the charge model and bonded parameter force constants in biomolecular force fields. The Journal of Chemical Physics. 147: 161730. PMID 29096508 DOI: 10.1063/1.4985866  0.338
2016 Debiec KT, Cerutti DS, Baker LR, Gronenborn AM, Case DA, Chong LT. Further along the Road Less Traveled: AMBER ff15ipq, an Original Protein Force Field Built on a Self-Consistent Physical Model. Journal of Chemical Theory and Computation. PMID 27399642 DOI: 10.1021/Acs.Jctc.6B00567  0.356
2015 Harder E, Damm W, Maple J, Wu C, Reboul M, Xiang JY, Wang L, Lupyan D, Dahlgren MK, Knight JL, Kaus JW, Cerutti D, Krilov G, Jorgensen WL, Abel R, et al. OPLS3: a force field providing broad coverage of drug-like small molecules and proteins. Journal of Chemical Theory and Computation. PMID 26584231 DOI: 10.1021/Acs.Jctc.5B00864  0.311
2014 Cerutti DS, Swope WC, Rice JE, Case DA. ff14ipq: A Self-Consistent Force Field for Condensed-Phase Simulations of Proteins. Journal of Chemical Theory and Computation. 10: 4515-4534. PMID 25328495 DOI: 10.1021/Ct500643C  0.336
2012 Mobley DL, Liu S, Cerutti DS, Swope WC, Rice JE. Alchemical prediction of hydration free energies for SAMPL. Journal of Computer-Aided Molecular Design. 26: 551-62. PMID 22198475 DOI: 10.1007/S10822-011-9528-8  0.342
2010 Cerutti DS, Freddolino PL, Duke RE, Case DA. Simulations of a protein crystal with a high resolution X-ray structure: evaluation of force fields and water models. The Journal of Physical Chemistry. B. 114: 12811-24. PMID 20860388 DOI: 10.1021/Jp105813J  0.311
2008 Cerutti DS, Duke R, Freddolino PL, Fan H, Lybrand TP. Vulnerability in Popular Molecular Dynamics Packages Concerning Langevin and Andersen Dynamics. Journal of Chemical Theory and Computation. 4: 1669-1680. PMID 19180249 DOI: 10.1021/Ct8002173  0.337
2007 Cerutti DS, Baker NA, McCammon JA. Solvent reaction field potential inside an uncharged globular protein: a bridge between implicit and explicit solvent models? The Journal of Chemical Physics. 127: 155101. PMID 17949217 DOI: 10.1063/1.2771171  0.453
2006 Jain T, Cerutti DS, McCammon JA. Configurational-bias sampling technique for predicting side-chain conformations in proteins. Protein Science : a Publication of the Protein Society. 15: 2029-39. PMID 16943441 DOI: 10.1110/Ps.062165906  0.367
2006 Cerutti DS, Jain T, McCammon JA. CIRSE: a solvation energy estimator compatible with flexible protein docking and design applications. Protein Science : a Publication of the Protein Society. 15: 1579-96. PMID 16815913 DOI: 10.1110/Ps.051985106  0.481
2005 Cerutti DS, Ten Eyck LF, McCammon JA. Rapid Estimation of Solvation Energy for Simulations of Protein-Protein Association. Journal of Chemical Theory and Computation. 1: 143-52. PMID 26641125 DOI: 10.1021/Ct049946F  0.493
2005 Cerutti DS, Ten Eyck LF, McCammon JA. Rapid estimation of solvation energy for simulations of protein-protein association Journal of Chemical Theory and Computation. 1: 143-152. DOI: 10.1021/ct049946f  0.43
2003 Cerutti DS, Wong CF, McCammon JA. Brownian dynamics simulations of ion atmospheres around polyalanine and B-DNA: effects of biomolecular dielectric. Biopolymers. 70: 391-402. PMID 14579311 DOI: 10.1002/Bip.10498  0.34
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