| Asynchronous replica exchange software for grid and heterogeneous computing E Gallicchio, J Xia, WF Flynn, B Zhang, S Samlalsingh, A Mentes, ... Computer physics communications 196, 236-246, 2015 | 40 | 2015 |
| Synthesis, crystal structure, and magnetic property of a novel 2D polymer [Co (PDC)(4, 4-bpy)](CH3OH) C Xie, B Zhang, X Liu, X Wang, H Kou, G Shen, D Shen Inorganic Chemistry Communications 7 (9), 1037-1040, 2004 | 34 | 2004 |
| Free energy-based virtual screening and optimization of RNase H inhibitors of HIV-1 reverse transcriptase B Zhang, MP D’Erasmo, RP Murelli, E Gallicchio ACS omega 1 (3), 435-447, 2016 | 32 | 2016 |
| A Novel 3D CuI Metal–Organic Framework with Middle‐Size Channels Despite the Sixfold ThSi2 Interpenetrating Topological Structure CZ Xie, ZF Zhang, BF Zhang, XQ Wang, RJ Wang, GQ Shen, DZ Shen, ... European journal of inorganic chemistry 2006 (7), 1337-1340, 2006 | 22 | 2006 |
| Large scale free energy calculations for blind predictions of protein–ligand binding: the D3R Grand Challenge 2015 N Deng, WF Flynn, J Xia, RSK Vijayan, B Zhang, P He, A Mentes, ... Journal of computer-aided molecular design 30, 743-751, 2016 | 20 | 2016 |
| The synthesis and structure of a novel alternating 1-D cobalt coordination polymer [Co(2,5-PDC)2(H2O)2Co(H2O)4]·4H2O C Xie, B Zhang, X Wang, R Wang, G Shen, D Shen Journal of Chemical Crystallography 37, 25-29, 2007 | 16 | 2007 |
| Synthetic α-hydroxytropolones as inhibitors of HIV reverse transcriptase ribonuclease H activity RP Murelli, MP D'Erasmo, DR Hirsch, C Meck, T Masaoka, JA Wilson, ... MedChemComm 7 (9), 1783-1788, 2016 | 14 | 2016 |
| Hydrothermal Syntheses, Crystal Structures and Properties of Two Novel 3‐D Lanthanide (III) Coordination Polymers Constructed with Mixed Heterocyclic Carboxylic Acid C Xie, B Zhang, X Wang, B Yu, R Wang, G Shen Zeitschrift für anorganische und allgemeine Chemie 634 (2), 387-391, 2008 | 13 | 2008 |
| Efficient gaussian density formulation of volume and surface areas of macromolecules on graphical processing units B Zhang, D Kilburg, P Eastman, VS Pande, E Gallicchio Journal of Computational Chemistry 38 (10), 740-752, 2017 | 12 | 2017 |
| Poly [[hexaaquabis (μ3-pyridine-2, 5-dicarboxylato-κ4O: O′, N: O′′) bis (μ2-pyridine-2, 5-dicarboxylato-κ3O: O′, N) dieuropium (III) copper (II)] dihydrate] BF Zhang, CZ Xie, XQ Wang, GQ Shen, DZ Shen Acta Crystallographica Section E: Structure Reports Online 62 (2), m297-m299, 2006 | 9 | 2006 |
| Eur. J. Inorg. Chem. JL Xie, XM Ren, S Gao, WW Zhang, YZ Li, CS Lu, CL Ni, WL Liu, QJ Meng, ... | 8 | 2003 |
| An adduct of (1, 10-phenanthroline) diperchloratobis (pyridine-4-carboxaldehyde oxime-κN1) copper (II) and pyridine-4-carboxaldehyde oxime B Zhang, S Chu, X Wang, G Shen, RJ Wang Acta Crystallographica Section E: Structure Reports Online 59 (9), m824-m826, 2003 | 7 | 2003 |
| A novel heterometallic FeII–Na+ phase: 1, 10-phenanthrolinium aquabis (1, 10-phenanthroline) sodium (I) pentacyanonitrosoiron (II) monohydrate BF Zhang, CZ Xie, XQ Wang, GQ Shen, DZ Shen Acta Crystallographica Section E: Structure Reports Online 60 (9), m1293-m1295, 2004 | 5 | 2004 |
| A new heterometallic complex:[Mn (H2O) 6][Co (dmg) 2 (N3) 2] 2· 2H2O, where dmg is dimethylglyoximate X Liu, B Zhang, X Wang, G Shen, RJ Wang, D Shen Acta Crystallographica Section E: Structure Reports Online 60 (5), m538-m540, 2004 | 4 | 2004 |
| A new tetranuclear copper (II) complex bridged by dimethylglyoxime B Zhang, S Chu, X Wang, G Shen, RJ Wang Acta Crystallographica Section E: Structure Reports Online 59 (7), m504-m506, 2003 | 4 | 2003 |
| Vibrational energy relaxation of large-amplitude vibrations in liquids B Zhang, RM Stratt The Journal of Chemical Physics 137 (2), 2012 | 3 | 2012 |
| catena-poly [[[tetraaquacobalt (II)]-μ-4, 4′-bipyridine-κ2N: N′] phthalate dihydrate] CZ Xie, BF Zhang, XQ Wang, GQ Shen, DZ Shen Acta Crystallographica Section E: Structure Reports Online 60 (11), m1703-m1705, 2004 | 3 | 2004 |
| A novel one-dimensional zigzag coordination polymer of copper (II) with dimethylglyoxime B Zhang, X Liu, X Wang, R Wang, C Xie, G Shen, D Shen Acta Crystallographica Section C: Crystal Structure Communications 60 (10 …, 2004 | 3 | 2004 |
| Efficient GPU/OpenMM implementation of the AGBNP solvation model for macromolecular binding E Gallicchio, D Kilburg, B Zhang ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 254, 2017 | | 2017 |
| E cient Gaussian Density Formulation of Volume and Surface Areas of Macromolecules on Graphical Processing Units B Zhang, D Kilburg, P Eastman, VS Pande, E Gallicchio macromolecules 38, 41, 2017 | | 2017 |
