| Development of an improved four-site water model for biomolecular simulations: TIP4P-Ew HW Horn, WC Swope, JW Pitera, JD Madura, TJ Dick, GL Hura, ... The Journal of chemical physics 120 (20), 9665-9678, 2004 | 2225 | 2004 |
| Improvements to the APBS biomolecular solvation software suite E Jurrus, D Engel, K Star, K Monson, J Brandi, LE Felberg, DH Brookes, ... Protein Science 27 (1), 112-128, 2018 | 1624 | 2018 |
| Current status of the AMOEBA polarizable force field JW Ponder, C Wu, P Ren, VS Pande, JD Chodera, MJ Schnieders, ... The journal of physical chemistry B 114 (8), 2549-2564, 2010 | 1456 | 2010 |
| Analytic MP2 frequencies without fifth-order storage. Theory and application to bifurcated hydrogen bonds in the water hexamer M Head-Gordon, T Head-Gordon Chemical Physics Letters 220 (1-2), 122-128, 1994 | 1074 | 1994 |
| Software for the frontiers of quantum chemistry: An overview of developments in the Q-Chem 5 package E Epifanovsky, ATB Gilbert, X Feng, J Lee, Y Mao, N Mardirossian, ... The Journal of chemical physics 155 (8), 2021 | 700 | 2021 |
| Water structure from scattering experiments and simulation T Head-Gordon, G Hura Chemical reviews 102 (8), 2651-2670, 2002 | 620 | 2002 |
| What can x-ray scattering tell us about the radial distribution functions of water? JM Sorenson, G Hura, RM Glaeser, T Head-Gordon The Journal of chemical physics 113 (20), 9149-9161, 2000 | 501 | 2000 |
| Theoretical study of blocked glycine and alanine peptide analogs T Head-Gordon, M Head-Gordon, MJ Frisch, CL Brooks III, JA Pople Journal of the American chemical society 113 (16), 5989-5997, 1991 | 421 | 1991 |
| A high-quality x-ray scattering experiment on liquid water at ambient conditions G Hura, JM Sorenson, RM Glaeser, T Head-Gordon The Journal of Chemical Physics 113 (20), 9140-9148, 2000 | 398 | 2000 |
| Systematic improvement of a classical molecular model of water LP Wang, T Head-Gordon, JW Ponder, P Ren, JD Chodera, PK Eastman, ... The Journal of Physical Chemistry B 117 (34), 9956-9972, 2013 | 359 | 2013 |
| Tetrahedral structure or chains for liquid water T Head-Gordon, ME Johnson Proceedings of the National Academy of Sciences 103 (21), 7973-7977, 2006 | 318 | 2006 |
| Toy model for protein folding FH Stillinger, T Head-Gordon, CL Hirshfeld Physical review E 48 (2), 1469, 1993 | 304 | 1993 |
| Representability problems for coarse-grained water potentials ME Johnson, T Head-Gordon, AA Louis The Journal of chemical physics 126 (14), 2007 | 277 | 2007 |
| The structure of ambient water GNI Clark, CD Cappa, JD Smith, RJ Saykally, T Head-Gordon Molecular Physics 108 (11), 1415-1433, 2010 | 271 | 2010 |
| Water structure as a function of temperature from X-ray scattering experiments and ab initio molecular dynamics G Hura, D Russo, RM Glaeser, T Head-Gordon, M Krack, M Parrinello Physical Chemistry Chemical Physics 5 (10), 1981-1991, 2003 | 257 | 2003 |
| Building a more predictive protein force field: a systematic and reproducible route to AMBER-FB15 LP Wang, KA McKiernan, J Gomes, KA Beauchamp, T Head-Gordon, ... The Journal of Physical Chemistry B 121 (16), 4023-4039, 2017 | 241 | 2017 |
| Revised parameters for the AMOEBA polarizable atomic multipole water model ML Laury, LP Wang, VS Pande, T Head-Gordon, JW Ponder The Journal of Physical Chemistry B 119 (29), 9423-9437, 2015 | 237 | 2015 |
| Hydration dynamics near a model protein surface D Russo, G Hura, T Head-Gordon Biophysical journal 86 (3), 1852-1862, 2004 | 232 | 2004 |
| New developments in force fields for biomolecular simulations PS Nerenberg, T Head-Gordon Current opinion in structural biology 49, 129-138, 2018 | 225 | 2018 |
| Small-angle scattering and the structure of ambient liquid water GNI Clark, GL Hura, J Teixeira, AK Soper, T Head-Gordon Proceedings of the National Academy of Sciences 107 (32), 14003-14007, 2010 | 221 | 2010 |
Nicolas Lux FawziProfessor, Brown University在 brown.edu 的电子邮件经过验证
