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Goran Krilov, Ph.D. - Publications

Affiliations: 
2001 Columbia University, New York, NY 
Area:
Theory of liquids, molecular dynamics and Monte Carlo simulations of condensed matter
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15 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
2016 Fechner U, de Graaf C, Torda AE, Güssregen S, Evers A, Matter H, Hessler G, Richmond NJ, Schmidtke P, Segler MHS, Waller MP, Pleik S, Shea JE, Levine Z, Mullen R, ... ... Krilov G, et al. 11th German Conference on Chemoinformatics (GCC 2015) : Fulda, Germany. 8-10 November 2015. Journal of Cheminformatics. 8: 18. PMID 29270804 DOI: 10.1186/S13321-016-0119-5  0.531
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  0.67
2015 Steinbrecher TB, Dahlgren M, Cappel D, Lin T, Wang L, Krilov G, Abel R, Friesner R, Sherman W. Accurate Binding Free Energy Predictions in Fragment Optimization. Journal of Chemical Information and Modeling. PMID 26457994 DOI: 10.1021/Acs.Jcim.5B00538  0.647
2015 Wang L, Wu Y, Deng Y, Kim B, Pierce L, Krilov G, Lupyan D, Robinson S, Dahlgren MK, Greenwood J, Romero DL, Masse C, Knight JL, Steinbrecher T, Beuming T, et al. Accurate and reliable prediction of relative ligand binding potency in prospective drug discovery by way of a modern free-energy calculation protocol and force field. Journal of the American Chemical Society. 137: 2695-703. PMID 25625324 DOI: 10.1021/Ja512751Q  0.667
2006 Li Y, Krilov G, Berne BJ. Elastic bag model for molecular dynamics simulations of solvated systems: application to liquid water and solvated peptides. The Journal of Physical Chemistry. B. 110: 13256-63. PMID 16805640 DOI: 10.1021/Jp057532S  0.472
2005 Li Y, Krilov G, Berne BJ. Elastic bag model for molecular dynamics simulations of solvated systems: application to liquid argon. The Journal of Physical Chemistry. B. 109: 463-70. PMID 16851037 DOI: 10.1021/Jp046852T  0.539
2005 Rabani E, Krilov G, Reichman DR, Berne BJ. Transport properties of normal liquid helium: comparison of various methodologies. The Journal of Chemical Physics. 123: 184506. PMID 16292913 DOI: 10.1063/1.2109927  0.641
2004 Zhou R, Krilov G, Berne BJ. Comment on "can a continuum solvent model reproduce the free energy landscape of a β-hairpin folding in water?" The Poisson-Boltzmann equation Journal of Physical Chemistry B. 108: 7528-7530. DOI: 10.1021/Jp037812C  0.531
2002 Rabani E, Reichman DR, Krilov G, Berne BJ. The calculation of transport properties in quantum liquids using the maximum entropy numerical analytic continuation method: application to liquid para-hydrogen. Proceedings of the National Academy of Sciences of the United States of America. 99: 1129-33. PMID 11830656 DOI: 10.1073/Pnas.261540698  0.631
2001 Krilov G, Sim E, Berne BJ. Quantum time correlation functions from complex time Monte Carlo simulations: A maximum entropy approach Journal of Chemical Physics. 114: 1075-1088. DOI: 10.1063/1.1331613  0.547
2001 Sim E, Krilov G, Berne BJ. Quantum rate constants from short-time dynamics: An analytic continuation approach Journal of Physical Chemistry A. 105: 2824-2833. DOI: 10.1021/Jp004307W  0.554
2001 Krilov G, Sim E, Berne BJ. On the bayesian approach to calculating time correlation functions in quantum systems; reaction dynamics and spectroscopy Chemical Physics. 268: 21-24. DOI: 10.1016/S0301-0104(01)00287-7  0.481
2000 Rabani E, Krilov G, Berne BJ. Quantum mechanical canonical rate theory: A new approach based on the reactive flux and numerical analytic continuation methods Journal of Chemical Physics. 112: 2605-2614. DOI: 10.1063/1.480834  0.564
1999 Krilov G, Berne BJ. Real time quantum correlation functions. II. Maximum entropy numerical analytic continuation of path integral Monte Carlo and centroid molecular dynamics data Journal of Chemical Physics. 111: 9147-9156. DOI: 10.1063/1.480028  0.508
1999 Krilov G, Berne BJ. Real time quantum correlation functions. I. Centroid molecular dynamics of anharmonic systems Journal of Chemical Physics. 111: 9140-9146. DOI: 10.1063/1.479829  0.54
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