| CHARMM-GUI Membrane Builder for Complex Biological Membrane Simulations with Glycolipids and Lipoglycans J Lee, DS Patel, J Ståhle, SJ Park, NR Kern, S Kim, J Lee, X Cheng, ... Journal of chemical theory and computation 15 (1), 775-786, 2018 | 186 | 2018 |
| CHARMM‐GUI 10 years for biomolecular modeling and simulation S Jo, X Cheng, J Lee, S Kim, SJ Park, DS Patel, AH Beaven, KI Lee, H Rui, ... Journal of computational chemistry 38 (15), 1114-1124, 2017 | 157 | 2017 |
| Pharmacophoric features of biguanide derivatives: an electronic and structural analysis PV Bharatam, DS Patel, P Iqbal Journal of medicinal chemistry 48 (24), 7615-7622, 2005 | 127 | 2005 |
| CHARMM‐GUI Martini Maker for modeling and simulation of complex bacterial membranes with lipopolysaccharides PC Hsu, BMH Bruininks, D Jefferies, P Cesar Telles de Souza, J Lee, ... Journal of computational chemistry 38 (27), 2354-2363, 2017 | 97 | 2017 |
| Bilayer properties of lipid A from various Gram-negative bacteria S Kim, DS Patel, S Park, J Slusky, JB Klauda, G Widmalm, W Im Biophysical journal 111 (8), 1750-1760, 2016 | 79 | 2016 |
| Dynamics and interactions of OmpF and LPS: influence on pore accessibility and ion permeability DS Patel, S Re, EL Wu, Y Qi, PE Klebba, G Widmalm, MS Yeom, Y Sugita, ... Biophysical journal 110 (4), 930-938, 2016 | 68 | 2016 |
| Glycan Reader is improved to recognize most sugar types and chemical modifications in the Protein Data Bank SJ Park, J Lee, DS Patel, H Ma, HS Lee, S Jo, W Im Bioinformatics 33 (19), 3051-3057, 2017 | 67 | 2017 |
| BamA POTRA domain interacts with a native lipid membrane surface PJ Fleming, DS Patel, EL Wu, Y Qi, MS Yeom, MC Sousa, KG Fleming, ... Biophysical journal 110 (12), 2698-2709, 2016 | 63 | 2016 |
| Polarizable empirical force field for hexopyranose monosaccharides based on the classical drude oscillator DS Patel, X He, AD MacKerell Jr The Journal of Physical Chemistry B 119 (3), 637-652, 2015 | 62 | 2015 |
| Divalent N (I) compounds with two lone pairs on nitrogen DS Patel, PV Bharatam The Journal of Physical Chemistry A 115 (26), 7645-7655, 2011 | 57 | 2011 |
| Modeling and informatics in designing anti-diabetic agents PV Bharatam, DS Patel, L Adane, A Mittal, S Sundriyal Current pharmaceutical design 13 (34), 3518-3530, 2007 | 56 | 2007 |
| 3D-QSAR and molecular docking studies on pyrazolopyrimidine derivatives as glycogen synthase kinase-3β inhibitors N Dessalew, DS Patel, PV Bharatam Journal of Molecular Graphics and Modelling 25 (6), 885-895, 2007 | 55 | 2007 |
| Influence of ganglioside GM1 concentration on lipid clustering and membrane properties and curvature DS Patel, S Park, EL Wu, MS Yeom, G Widmalm, JB Klauda, W Im Biophysical journal 111 (9), 1987-1999, 2016 | 45 | 2016 |
| Conformational properties of α-or β-(1→ 6)-linked oligosaccharides: Hamiltonian replica exchange MD simulations and NMR experiments DS Patel, R Pendrill, SS Mallajosyula, G Widmalm, AD MacKerell Jr The Journal of Physical Chemistry B 118 (11), 2851-2871, 2014 | 45 | 2014 |
| To bend or not to bend! The dilemma of allenes DS Patel, PV Bharatam The Journal of Organic Chemistry 76 (8), 2558-2567, 2011 | 44 | 2011 |
| Modeling and simulation of bacterial outer membranes and interactions with membrane proteins DS Patel, Y Qi, W Im Current Opinion in Structural Biology 43, 131-140, 2017 | 42 | 2017 |
| Novel⊕ N (← L) 2 species with two lone pairs on nitrogen: systems isoelectronic to carbodicarbenes DS Patel, PV Bharatam Chemical communications, 1064-1066, 2009 | 41 | 2009 |
| Refinement of OprH-LPS interactions by molecular simulations J Lee, DS Patel, I Kucharska, LK Tamm, W Im Biophysical journal 112 (2), 346-355, 2017 | 40 | 2017 |
| Structure-based approaches in the design of GSK-3 selective inhibitors DS Patel, N Dessalew, P Iqbal, PV Bharatam Current Protein and Peptide Science 8 (4), 352-364, 2007 | 37 | 2007 |
| Divalent N (I) character in 2-(thiazol-2-yl) guanidine: an electronic structure analysis S Bhatia, C Bagul, Y Kasetti, DS Patel, PV Bharatam The Journal of Physical Chemistry A 116 (36), 9071-9079, 2012 | 33 | 2012 |
