Molecular Modelling. Molecular dynamics, computer-aided drug design, and allosterism. I used software, not created them. I was a PhD student in a past life.
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Joe Jordan
ejjordan
I work on making molecular dynamics simulations user friendly. I have extensive experience in HPC and performance engineering, and GROMACS.
Dom
dlukauskis
Senior Comp Chemist @AdhesionTx; 2023 Chem PhD @Gervasiolab; 2019 Biochem @Oxford
University College London London
Argonne Leadership Computing Facility - ALCF
argonne-lcf
ALCF is a DOE Office of Science User Facility that provides leadership supercomputing resources to advance scientific research.
Chicago, IL
Bigginlab
bigginlab
Code from the Biggin Laboratory at the University of Oxford
University of Oxford
Aurélien Geron
ageron
Author of the book Hands-On Machine Learning with Scikit-Learn, Keras, and TensorFlow. Former PM of YouTube video classification and founder & CTO of Wifirst.
Auckland
Dhiman Ray
dhimanray
Post Doc: Atomistic Simulations, IIT Genoa, Italy. PhD: University of California Irvine, USA. BS. MS.: IISER Kolkata, India.
Istituto Italiano di Tecnologia Genoa, Italy
Boas Pucker
bpucker
Professor at TU Braunschweig with research interests in plant genomics and specialized metabolism. Details:
https://www.tu-braunschweig.de/en/ifp/pbb
Plant Biotechnology and Bioinformatics, Institute of Plant Biology, TU Braunschweig Germany
Alexander Kroll
AlexanderKroll
PhD student at the Heinrich-Heine-Universität Düsseldorf in Germany in the research group for computational cell biology.
Heinrich-Heine-Universität Düsseldorf, Germany
LAMM: MIT Laboratory for Atomistic and Molecular Mechanics
lamm-mit
PI: Markus J. Buehler, MIT
Our research focus on developing a new paradigm that designs materials from the molecular scale, using MD, ML and other methods
MIT Cambridge, MA
惠成功chenggong
huichenggong
https://orcid.org/0000-0003-2875-4739
Max Planck Institute for Multidisciplinary Sciences Göttingen
Mario Sergio Valdés Tresanco
Valdes-Tresanco-MS
Ph.D. Student in Bioinformatic
University of Medellín Colombia
HADDOCK
haddocking
Computational Structural Biology Group @ Utrecht University
Utrecht, The Netherlands
Marco Giulini
mgiulini
PhD in Computational biophysics, fascinated by the challenges of structural biology
Utrecht University Utrecht, The Netherlands
Zhang Xujun
schrojunzhang
I am currently a PhD student in the College of Pharmaceutical Sciences at Zhejiang University.
Zhejiang University
Luigi Bonati
luigibonati
Postdoctoral researcher
Atomistic Simulations, IIT, Genoa, Italy
>> Machine learning for enhanced sampling simulations <<
Italian Institute of Technology (IIT) Genoa, Italy
Durrant Lab
durrantlab
The Durrant lab at the University of Pittsburgh develops and applies broadly applicable, innovative techniques for computer-aided drug discovery.
United States of America
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