Xiao Zhu

Xiao Zhu

Senior Research Scientist, Purdue University
Email verificata su purdue.edu
Citato da 2052
Computational Chemistry and Biophysics High Performance and Data-Intensive … Molecular Dynamics QM/MM Simulations
Željka Sanader Maršić

Željka Sanader Maršić

University of Split, Faculty of Science, unist.hr
Email verificata su pmfst.hr
Citato da 524
nanoclusters density functional theory QM/MM simulations protein engineering
Rabindra Nath Manna

Rabindra Nath Manna

Citato da 447
Enzyme Catalysis QM/MM simulations Molecular modelling Molecular Simulations DFT Calculations
Matic Pavlin

Matic Pavlin

National Institute of Chemistry
Email verificata su ki.si
Citato da 428
Molecular Dynamics QM/MM simulations Molecular modelling
Ravi Dutta

Ravi Dutta

Research Fellow, Max Planck Institute for Polymer Research
Email verificata su mpip-mainz.mpg.de
Citato da 420
Polymer nano-composites Interfacial barriers to gas transport QM/MM simulations Hamiltonian adaptive resolution simulations
Probal Nag

Probal Nag

Technische Universität Dortmund
Email verificata su tu-dortmund.de
Citato da 180
Theoretical biophysics QM/MM simulations
Jorge Nochebuena

Jorge Nochebuena

Augusta University
Email verificata su augusta.edu
Citato da 165
Density Functional Theory van der Waals Forces QM/MM simulations Protein Structure
Atiya Banerjee

Atiya Banerjee

Brookhaven National Laboatory
Email verificata su bnl.gov
Citato da 112
Computational Protein Design DFT QM/MM simulations Machine Learning
Tanmoy Pal

Tanmoy Pal

Merck & Co. Inc.
Email verificata su merck.com
Citato da 106
Computational Chemistry Deep Learning QM/MM Simulations
Tharindu Senapathi

Tharindu Senapathi

Senior Lecturer
Email verificata su sjp.ac.lk
Citato da 95
Computational Chemistry Informatics Free Energy Methods QM/MM Simulations Reaction Dynamics
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