g_mmpbsa-A GROMACS tool for high-throughput MM-PBSA calculations R Kumari, R Kumar, O Consortium, AM Lynn Journal of chemical information and modeling 54 (7), 1951–1962, 2014 | 3606 | 2014 |
do_x3dna: a tool to analyze structural fluctuations of dsDNA or dsRNA from molecular dynamics simulations R Kumar, H Grubmüller Bioinformatics 31 (15), 2583-2585, 2015 | 61 | 2015 |
Quinazoline Ligands Induce Cancer Cell Death through Selective STAT3 Inhibition and G-Quadruplex Stabilization J Jamroskovic, M Doimo, K Chand, I Obi, R Kumar, K Brännström, ... Journal of the American Chemical Society 142 (6), 2876-2888, 2020 | 58 | 2020 |
Probing interaction requirements in PTP1B inhibitors: a comparative molecular dynamics study R Kumar, RN Shinde, D Ajay, ME Sobhia Journal of chemical information and modeling 50 (6), 1147-1158, 2010 | 36 | 2010 |
Subtle structural alterations in G-quadruplex DNA regulate site specificity of fluorescence light-up probes R Kumar, K Chand, S Bhowmik, RN Das, S Bhattacharjee, M Hedenström, ... Nucleic acids research 48 (3), 1108-1119, 2020 | 34 | 2020 |
Elastic Properties and Heterogeneous Stiffness of the Phi29 Motor Connector Channel R Kumar, H Grubmüller Biophysical Journal 106 (6), 1338-1348, 2014 | 27 | 2014 |
Genome contact map explorer: a platform for the comparison, interactive visualization and analysis of genome contact maps R Kumar, H Sobhy, P Stenberg, L Lizana Nucleic Acids Research, 2017 | 25 | 2017 |
Electrostatic Complementarity in Structure-Based Drug Design: Miniperspective BD Cons, DG Twigg, R Kumar, G Chessari Journal of Medicinal Chemistry 65 (11), 7476-7488, 2022 | 24 | 2022 |
Allosteric Site Inhibitor Disrupting Auto-Processing of Malarial Cysteine Proteases A Pant, R Kumar, NA Wani, S Verma, R Sharma, V Pande, AK Saxena, ... Scientific Reports 8, 2018 | 22 | 2018 |
Flexible Versus Rigid G‐Quadruplex DNA Ligands: Synthesis of Two Series of Bis‐indole Derivatives and Comparison of Their Interactions with G‐Quadruplex DNA B Prasad, J Jamroskovic, S Bhowmik, R Kumar, T Romell, N Sabouri, ... Chemistry–A European Journal 24 (31), 7926-7938, 2018 | 21 | 2018 |
Highly interacting regions of the human genome are enriched with enhancers and bound by DNA repair proteins H Sobhy, R Kumar, J Lewerentz, L Lizana, P Stenberg Scientific Reports 9, 4577, 2019 | 17 | 2019 |
Insights into the Structural Requirements of PKCβII Inhibitors Based on HQSAR and CoMSIA Analyses H Kumar, R Kumar, BK Grewal, ME Sobhia Chemical Biology & Drug Design 78 (2), 283-288, 2011 | 17 | 2011 |
Universal Relaxation Governs the Nonequilibrium Elasticity of Biomolecules C Kappel, N Dölker, R Kumar, M Zink, U Zachariae, H Grubmüller Physical Review Letters 109 (11), 118304, 2012 | 15 | 2012 |
Phi29 Connector-DNA Interactions Govern DNA Crunching and Rotation, Supporting the Check-Valve Model R Kumar, H Grubmüller Biophysical Journal 110 (2), 455-469, 2016 | 12 | 2016 |
A multilevel generative framework with hierarchical self-contrasting for bias control and transparency in structure-based ligand design L Chan, R Kumar, M Verdonk, C Poelking Nature Machine Intelligence 4 (12), 1130-1142, 2022 | 9 | 2022 |
The Relation Between Position and Chemical Composition of Bis‐Indole Substituents Determines Their Interactions with G‐Quadruplex DNA B Prasad, RN Das, J Jamroskovic, R Kumar, M Hedenström, N Sabouri, ... Chemistry–A European Journal 26 (43), 9561-9572, 2020 | 9 | 2020 |
Genomic 3D compartments emerge from unfolding mitotic chromosomes R Kumar, L Lizana, P Stenberg Chromosoma, 2018 | 7 | 2018 |
Macrocyclization of bis-indole quinolines for selective stabilization of G-quadruplex DNA structures RN Das, M Andréasson, R Kumar, E Chorell Chemical Science 11 (38), 10529-10537, 2020 | 1 | 2020 |
Molecular dynamics studies of the Phi29 connector-DNA complex. R Kumar Georg-August-Universität Göttingen, 2014 | | 2014 |
Exceptional heterogeneous elasticity and one-way valve mechanism of the PHi29 head-tail connector. R Kumar, H Grubmüller 58th Annual Meeting of the Biophysical-Society, 60A-61A, 2014 | | 2014 |