Dmitry Lupyan

Dmitry Lupyan

Principle Scientist II at Schrodinger Inc
Verified email at schrodinger.com
Cited by 4994
computational biophysics md simulations metadynamics membrane lipids
Vojtech Spiwok

Vojtech Spiwok

University of Chemistry and Technology, Prague
Verified email at vscht.cz
Cited by 3073
Biomolecular simulations Metadynamics
Giuseppe Cassone

Giuseppe Cassone

Researcher, National Research Council
Verified email at ipcf.cnr.it
Cited by 1114
Ab initio Molecular Dynamics Metadynamics Computational Physical Chemistry Origins of life
Kristof Bal

Kristof Bal

Janssen Research & Development
Verified email at uantwerpen.be
Cited by 831
monte carlo simulations metadynamics plasma catalysis enhanced sampling machine learning
Dr. Akhil Kumar

Dr. Akhil Kumar

Present:IPDF IITK,Past: National Post Doctral Fellow, at IISc Bangalore, SRF at CSIR-CIMAP
Cited by 535
Computational Drug Design Molecular dynamics Metadynamics Structural Bioinformatics
Janani Sampath

Janani Sampath

Assistant Professor, University of Florida
Verified email at ufl.edu
Cited by 438
Polymers MD Simulations Proteins Metadynamics
Donatella Callegari

Donatella Callegari

University of Parma
Verified email at studenti.unipr.it
Cited by 358
medicinal chemistry molecular dynamics metadynamics binding kinetics QM/MM
Romain Dupuis

Romain Dupuis

CNRS / LMGC (Montpellier, France)
Verified email at umontpellier.fr
Cited by 332
Molecular dynamics Metadynamics Porous materials Interfaces
Ravi Tripathi

Ravi Tripathi

data analyst @ Evonik
Verified email at theochem.rub.de
Cited by 289
Ab initio simulation QM/MM metadynamics Enzyme Reaction Mechanism computational chemistry
Fabrizio Creazzo

Fabrizio Creazzo

Post-Doc Researcher, University of Zurich UZH
Verified email at uzh.ch
Cited by 284
machine learning electrochemistry DFT-MD simulations metadynamics computational engineering catalysts
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