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Rajendra Kumar
Rajendra Kumar
在 astrazeneca.com 的电子邮件经过验证
标题
引用次数
引用次数
年份
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
36062014
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
612015
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
582020
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
362010
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
342020
Elastic Properties and Heterogeneous Stiffness of the Phi29 Motor Connector Channel
R Kumar, H Grubmüller
Biophysical Journal 106 (6), 1338-1348, 2014
272014
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
252017
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
242022
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
222018
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
212018
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
172019
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
172011
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
152012
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
122016
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
92022
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
92020
Genomic 3D compartments emerge from unfolding mitotic chromosomes
R Kumar, L Lizana, P Stenberg
Chromosoma, 2018
72018
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
12020
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
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