| Src activation by β-adrenoreceptors is a key switch for tumour metastasis GN Armaiz-Pena, JK Allen, A Cruz, RL Stone, AM Nick, YG Lin, LY Han, ... Nature communications 4, 1403, 2013 | 234 | 2013 |
| Hidden Bias in the DUD-E Dataset Leads to Misleading Performance of Deep Learning in Structure-Based Virtual Screening L Chen, A Cruz, S Ramsey, CJ Dickson, JS Duca, V Hornak, DR Koes, ... ChemRxiv, 2019 | 223 | 2019 |
| Thermodynamics of Water in an Enzyme Active Site: Grid-Based Hydration Analysis of Coagulation Factor Xa CN Nguyen, A Cruz, MK Gilson, T Kurtzman Journal of chemical theory and computation 10 (7), 2769-2780, 2014 | 139 | 2014 |
| Testing inhomogeneous solvation theory in structure-based ligand discovery TE Balius, M Fischer, RM Stein, TB Adler, CN Nguyen, A Cruz, MK Gilson, ... Proceedings of the National Academy of Sciences 114 (33), E6839-E6846, 2017 | 80 | 2017 |
| Model for the peptide-free conformation of class II MHC proteins CA Painter, A Cruz, GE López, LJ Stern, Z Zavala-Ruiz PLoS One 3 (6), e2403, 2008 | 74 | 2008 |
| Solvation Structure and Thermodynamic Mapping (SSTMap): An Open-Source, Flexible Package for the Analysis of Water in Molecular Dynamics Trajectories K Haider, A Cruz, S Ramsey, MK Gilson, T Kurtzman Journal of chemical theory and computation 14 (1), 418-425, 2017 | 56 | 2017 |
| Tyrosine B10 and heme–ligand interactions of Lucina pectinata hemoglobin II: control of heme reactivity R Pietri, L Granell, A Cruz, W De Jesús, A Lewis, R Leon, CL Cadilla, ... Biochimica et Biophysica Acta (BBA)-Proteins and Proteomics 1747 (2), 195-203, 2005 | 38 | 2005 |
| The gamma-butyrolactone receptors BulR1 and BulR2 of Streptomyces tsukubaensis: tacrolimus (FK506) and butyrolactone synthetases production control Z Salehi-Najafabadi, C Barreiro, A Rodríguez-García, A Cruz, GE López, ... Applied microbiology and biotechnology 98 (11), 4919-4936, 2014 | 31 | 2014 |
| Thermodynamic decomposition of solvation free energies with particle mesh Ewald and long-range Lennard-Jones interactions in Grid Inhomogeneous Solvation Theory L Chen, A Cruz, DR Roe, A Simmonett, L Wickstrom, N Deng, T Kurtzman ChemRxiv, 2020 | 26 | 2020 |
| Molecular dynamic study of subtilisin Carlsberg in aqueous and nonaqueous solvents A Cruz, E Ramirez, A Santana, G Barletta, GE López Molecular Simulation 35 (3), 205-212, 2009 | 20 | 2009 |
| Modeling Nonaqueous Proton Wires Built from Helical Peptides: Biased Proton Transfer Driven by Helical Dipoles GE López, I Colón-Díaz, A Cruz, S Ghosh, SB Nicholls, U Viswanathan, ... The Journal of Physical Chemistry A 116 (4), 1283-1288, 2012 | 14 | 2012 |
| Hydrogen-bonding conformations of tyrosine B10 tailor the hemeprotein reactivity of ferryl species W De Jesús-Bonilla, A Cruz, A Lewis, J Cerda, DE Bacelo, CL Cadilla, ... JBIC Journal of Biological Inorganic Chemistry 11 (3), 334-342, 2006 | 14 | 2006 |
| An online repository of solvation thermodynamic and structural maps of SARS-CoV-2 targets B Olson, A Cruz, L Chen, M Ghattas, Y Ji, K Huang, S Ayoub, T Luchko, ... Journal of Computer-Aided Molecular Design, 1-10, 2020 | 12 | 2020 |
| Effects of active site mutations in haemoglobin I from Lucina pectinata: a molecular dynamic study E Ramirez, A Cruz, D Rodriguez, L Uchima, R Pietri, A Santana, ... Molecular simulation 34 (7), 715-725, 2008 | 8 | 2008 |
| Structural and functional characterization of interleukin-24 based on atomistic molecular modeling A Cruz, B Nguyen, M Sauane, GE Lopez Chemistry Letters 45 (3), 327-329, 2016 | 7 | 2016 |
| Synthesis and Characterization of Non‐Aqueous [TcXM‐PW11O39]n– with M = O, N: Comparing TcV and TcVI in Metal Oxide Matrices BP Burton‐Pye, M Dembowski, WW Lukens Jr, A Cruz, A Althour, ... European Journal of Inorganic Chemistry 2019 (45), 4826-4834, 2019 | 6 | 2019 |
| Quinoline-2-thiol Derivatives as Fluorescent Sensors for Metals, pH and HNO NA O’Connor, GE López, A Cruz | 6 | 2014 |
| Molecular dynamics of surfactant protein C: From single molecule to heptameric aggregates E Ramírez, A Santana, A Cruz, I Plasencia, GE López Biophysical journal 90 (8), 2698-2705, 2006 | 6 | 2006 |
| Phase equilibria in model surfactants forming Langmuir monolayers E Ramírez, A Santana, A Cruz, GE López The Journal of chemical physics 127 (22), 224703, 2007 | 5 | 2007 |
| Stability of molecular hydrogen inside C720 fullerene: A path integral Monte Carlo study B Nguyen, A Cruz, D McGregor, GE López Physics Letters A 381 (4), 298-300, 2017 | 4 | 2017 |
Tom KurtzmanProfessor of Chemistry, Lehman College在 lehman.cuny.edu 的电子邮件经过验证
