Skip to content

Home Search Authors Pakistan News Saved

SciRah

SciRah does not host or store research papers. Results come live from free, official scholarly APIs, and every paper links back to its original source.

Data sources

OpenAlex
Semantic Scholar
Crossref
CORE
arXiv
PubMed

Privacy policy Terms of service

D. Shukla · SciRah

Researcher profile · Semantic Scholar

D. Shukla

Share profile

D. Shukla — researcher profile on SciRah

h-index: 39
Works: 135
Citations: 5,420

Most-cited papers

Degradation of complex arabinoxylans by human colonic Bacteroidetes
G. Pereira, A. Abdel-Hamid, Soumajit Dutta, C. D'Alessandro-Gabazza +10 more
2021Nature Communications149 citations Open access
Semantic Scholar
Reinforcement Learning Based Adaptive Sampling: REAPing Rewards by Exploring Protein Conformational Landscapes.
Z. Shamsi, Kevin J. Cheng, D. Shukla
2017Journal of Physical Chemistry B118 citations Open access
Semantic Scholar
The shape of water in zeolites and its impact on epoxidation catalysis
Daniel T. Bregante, M. Chan, Jun Tan, E. Zeynep Ayla +3 more
2020Nature Catalysis116 citations Open access
Semantic Scholar
Dynamic-template-directed multiscale assembly for large-area coating of highly-aligned conjugated polymer thin films
Erfan Mohammadi, Chuankai Zhao, Y. Meng, Ge Qu +6 more
2017Nature Communications92 citations Open access
Semantic Scholar
Engineered ACE2 decoy mitigates lung injury and death induced by SARS-CoV-2 variants
Lianghui Zhang, Soumajit Dutta, Shi-Qin Xiong, Matthew C. Chan +11 more
2022Nature Chemical Biology77 citations Open access
Semantic Scholar
Transition path theory analysis of c-Src kinase activation
Yilin Meng, D. Shukla, V. Pande, B. Roux
2016Proceedings of the National Academy of Sciences of the United States of America77 citations Open access
Semantic Scholar
Molecular Basis of the Glucose Transport Mechanism in Plants
Balaji Selvam, Ya-Chi Yu, Li-Qing Chen, D. Shukla
2019ACS Central Science67 citations Open access
Semantic Scholar
Adaptive Sampling Methods for Molecular Dynamics in the Era of Machine Learning.
D. Kleiman, Hassan Nadeem, D. Shukla
2023Journal of Physical Chemistry B64 citations Open access
Semantic Scholar
Structure and Potential‐Dependent Selectivity in Redox‐Metallopolymers: Electrochemically Mediated Multicomponent Metal Separations
Raylin Chen, Jiang-Yan Feng, Jemin Jeon, T. Sheehan +4 more
2021Advanced Functional Materials64 citations Open access
Semantic Scholar
Enhanced unbiased sampling of protein dynamics using evolutionary coupling information
Z. Shamsi, Alexander S. Moffett, D. Shukla
2017Scientific Reports60 citations Open access
Semantic Scholar
Universality of the Sodium Ion Binding Mechanism in Class A G-Protein-Coupled Receptors.
Balaji Selvam, Z. Shamsi, D. Shukla
2018Angewandte Chemie59 citations
Semantic Scholar
Conformational heterogeneity of the calmodulin binding interface
D. Shukla, A. Peck, V. Pande
2016Nature Communications59 citations Open access
Semantic Scholar
Structural architecture of a dimeric class C GPCR based on co-trafficking of sweet taste receptor subunits
Jihye Park, Balaji Selvam, Keisuke Sanematsu, Noriatsu Shigemura +2 more
2019Journal of Biological Chemistry56 citations Open access
Semantic Scholar
Free Energy Landscape of the Complete Transport Cycle in a Key Bacterial Transporter
Balaji Selvam, S. Mittal, D. Shukla
2018ACS Central Science53 citations Open access
Semantic Scholar
Chiral emergence in multistep hierarchical assembly of achiral conjugated polymers
K. Park, Zhen-Hong Xue, B. Patel, Hyosung An +5 more
2021Nature Communications51 citations Open access
Semantic Scholar
A network of molecular switches controls the activation of the two-component response regulator NtrC
D. Vanatta, D. Shukla, M. Lawrenz, V. Pande
2015Nature Communications47 citations Open access
Semantic Scholar
Recent Advances in Machine Learning Variant Effect Prediction Tools for Protein Engineering
Jesse Horne, D. Shukla
2022Industrial & Engineering Chemistry Research45 citations Open access
Semantic Scholar
Allosteric Control of a Plant Receptor Kinase through S-Glutathionylation.
Alexander S. Moffett, Kyle W. Bender, S. Huber, D. Shukla
2017Biophysical Journal42 citations Open access
Semantic Scholar
Mechanistic origin of partial agonism of tetrahydrocannabinol for cannabinoid receptors
Soumajit Dutta, Balaji Selvam, A. Das, D. Shukla
2021Journal of Biological Chemistry41 citations Open access
Semantic Scholar
The Substrate Import Mechanism of the Human Serotonin Transporter.
M. Chan, Balaji Selvam, Heather Young, E. Procko +1 more
2019Biophysical Journal41 citations Open access
Semantic Scholar
Molecular dynamics simulations reveal the conformational dynamics of Arabidopsis thaliana BRI1 and BAK1 receptor-like kinases
Alexander S. Moffett, Kyle W. Bender, S. Huber, D. Shukla
2017Journal of Biological Chemistry40 citations Open access
Semantic Scholar
Multiagent Reinforcement Learning-Based Adaptive Sampling for Conformational Dynamics of Proteins.
D. Kleiman, D. Shukla
2022Journal of Chemical Theory and Computation39 citations
Semantic Scholar
Distinct Substrate Transport Mechanism Identified in Homologous Sugar Transporters.
Kevin J. Cheng, Balaji Selvam, Li-Qing Chen, D. Shukla
2019Journal of Physical Chemistry B39 citations Open access
Semantic Scholar
Markov State Models and tICA Reveal a Nonnative Folding Nucleus in Simulations of NuG2.
Christian R. Schwantes, D. Shukla, V. Pande
2016Biophysical Journal39 citations Open access
Semantic Scholar
Role of internal loop dynamics in antibiotic permeability of outer membrane porins
A. Vasan, Nandan Haloi, R. Ulrich, M. E. Metcalf +5 more
2022Proceedings of the National Academy of Sciences of the United States of America34 citations Open access
Semantic Scholar
How do antiporters exchange substrates across the cell membrane? An atomic-level description of the complete exchange cycle in NarK.
Jiang-Yan Feng, Balaji Selvam, D. Shukla
2021Structure34 citations Open access
Semantic Scholar
Role of substrate recognition in modulating strigolactone receptor selectivity in witchweed
Jiming Chen, Alexandra R. F. White, David C. Nelson, D. Shukla
2020bioRxiv33 citations Open access
Semantic Scholar
Identification and analysis of sugar transporters capable of co‐transporting glucose and xylose simultaneously
Nurzhan Kuanyshev, Anshu Deewan, S. Jagtap, Jing-Jing Liu +5 more
2021Biotechnology Journal31 citations
Semantic Scholar
Recruiting machine learning methods for molecular simulations of proteins
S. Mittal, D. Shukla
201831 citations
Semantic Scholar
Markov state modeling of membrane transport proteins.
Matthew C. Chan, D. Shukla
2021Journal of Structural Biology28 citations Open access
Semantic Scholar
TLmutation: predicting the effects of mutations using transfer learning
Z. Shamsi, Matthew C. Chan, D. Shukla
2020bioRxiv28 citations Open access
Semantic Scholar
Heat dissipation guides activation in signaling proteins
J. Weber, D. Shukla, V. Pande
2015Proceedings of the National Academy of Sciences of the United States of America25 citations Open access
Semantic Scholar
Activation mechanism of the human Smoothened receptor
Prateek D. Bansal, Soumajit Dutta, D. Shukla
2023bioRxiv22 citations Open access
Semantic Scholar
Distinct Binding Mechanisms for Allosteric Sodium Ion In Cannabinoid Receptors
Soumajit Dutta, Balaji Selvam, D. Shukla
2021bioRxiv22 citations Open access
Semantic Scholar
Molecular Mechanism of Brassinosteroids Perception by the Plant Growth Receptor BRI1
Faisal Aldukhi, Aniket Deb, Chuankai Zhao, Alexander S. Moffett +1 more
2019bioRxiv22 citations Open access
Semantic Scholar
Using molecular simulation to explore the nanoscale dynamics of the plant kinome.
Alexander S. Moffett, D. Shukla
2018Biochemical Journal22 citations
Semantic Scholar
Distinct activation mechanisms regulate subtype selectivity of Cannabinoid receptors
Soumajit Dutta, D. Shukla
2022bioRxiv21 citations Open access
Semantic Scholar
Thirty years of molecular dynamics simulations on posttranslational modifications of proteins
Austin T. Weigle, Jiang-Yan Feng, D. Shukla
2022Physical Chemistry, Chemical Physics - PCCP20 citations Open access
Semantic Scholar
SAXS-guided Enhanced Unbiased Sampling for Structure Determination of Proteins and Complexes
Chuankai Zhao, D. Shukla
2018Scientific Reports18 citations Open access
Semantic Scholar
Impact of increased membrane realism on conformational sampling of proteins
Austin T. Weigle, M. Carr, D. Shukla
2021bioRxiv17 citations Open access
Semantic Scholar
Predicting Optimal DEER Label Positions to Study Protein Conformational Heterogeneity.
S. Mittal, D. Shukla
2017Journal of Physical Chemistry B17 citations
Semantic Scholar
Computational microscopy: Revealing molecular mechanisms in plants using molecular dynamics simulations
Jiang-Yan Feng, Jiming Chen, Balaji Selvam, D. Shukla
2019The Plant Cell16 citations Open access
Semantic Scholar
Conserve Water: A Method for the Analysis of Solvent in Molecular Dynamics.
M. Harrigan, D. Shukla, V. Pande
2015Journal of Chemical Theory and Computation16 citations
Semantic Scholar
Characterizing Conformational Dynamics of Proteins Using Evolutionary Couplings.
Jiang-Yan Feng, D. Shukla
2018Journal of Physical Chemistry B15 citations
Semantic Scholar
Structural Consequences of Multisite Phosphorylation in the BAK1 Kinase Domain.
Alexander S. Moffett, D. Shukla
2020Biophysical Journal14 citations Open access
Semantic Scholar
Structural Rearrangement of the Serotonin Transporter Intracellular Gate Induced by Thr276 Phosphorylation.
Matthew C. Chan, E. Procko, D. Shukla
2022ACS Chemical Neuroscience13 citations Open access
Semantic Scholar
Understanding Supramolecular Assembly of Supercharged Proteins
M. I. Jacobs, Prateek D. Bansal, D. Shukla, Charles M. Schroeder
2022bioRxiv13 citations Open access
Semantic Scholar
Molecular Basis of the Activation and Dissociation of Dimeric PYL2 Receptor in Abscisic Acid Signaling
Chuankai Zhao, D. Shukla
2019bioRxiv13 citations Open access
Semantic Scholar
Activation Mechanism of Strigolactone Receptors And Its Impact On Ligand Selectivity Between Host And Parasitic Plants
Jiming Chen, David C. Nelson, D. Shukla
2021bioRxiv12 citations Open access
Semantic Scholar
Ion Gel Dynamic Templates for Large Modulation of Morphology and Charge Transport Properties of Solution-Coated Conjugated Polymer Thin Films.
Erfan Mohammadi, Chuankai Zhao, Fengjiao Zhang, Ge Qu +6 more
2019ACS Applied Materials and Interfaces12 citations Open access
Semantic Scholar

Frequent co-authors

Invite them to SciRah by sharing their profile.

Balaji Selvam×11
Invite
Balaji Selvam — researcher profile on SciRah
Soumajit Dutta×6
Invite
Soumajit Dutta — researcher profile on SciRah
V. Pande×6
Invite
V. Pande — researcher profile on SciRah
Alexander S. Moffett×6
Invite
Alexander S. Moffett — researcher profile on SciRah

×5

Invite

Chuankai Zhao — researcher profile on SciRah

Jiang-Yan Feng×5

Invite

Jiang-Yan Feng — researcher profile on SciRah

Invite

Z. Shamsi — researcher profile on SciRah

Matthew C. Chan×4

Invite

Matthew C. Chan — researcher profile on SciRah

Invite

E. Procko — researcher profile on SciRah

Invite

Ying Diao — researcher profile on SciRah

Li-Qing Chen×3

Invite

Li-Qing Chen — researcher profile on SciRah

Invite

S. Mittal — researcher profile on SciRah