From: jobs at (do not send your application there!!!)
To: jobs at
Date: Tue Aug 17 13:44:07 2021
Subject: 21.08.17 Postdoctoral Fellow in Computational Biophysics (Robustelli Group - Dartmouth College - Hanover, NH)
The Robustelli Laboratory ( in the Dartmouth 
Department of Chemistry is searching for a postdoctoral fellow with a 
computational biophysics background.  As the first postdoctoral scholar of
the laboratory, this position will provide opportunities to make 
foundational contributions to our research directions, build a diverse and
inclusive lab culture, and play an active role in the research mentorship 
of graduate students and undergraduate researchers.   

The Robustelli Laboratory is broadly interested in using atomistic
molecular simulations to model the conformational dynamics and molecular 
recognition mechanisms of intrinsically disordered proteins (IDPs).  
We aim to use insights from simulations to understand, predict and 
ultimately design new dynamic and heterogeneous IDP binding interactions.

Current focuses of the laboratory include understanding the molecular 
mechanisms and diving forces of small molecules binding to IDPs, 
dissecting the intermolecular interactions that drive IDP phase separation
and aggregation, and rationally designing small molecule and biologic 
IDP binders that modulate these processes. 

We are seeking computational candidates with experience developing and
applying advanced molecular simulation techniques which may include, but 
are not limited to, one or more of the following areas: enhanced sampling 
algorithms, maximum-entropy methods, adaptive sampling strategies, 
markov-state models, dimensionality reduction, clustering methods, 
machine learning, protein or small molecule force field parameterization, 
alchemical free-energy calculations, de novo protein/biologics design, and
small molecule drug design. 

Candidates must have a PhD in computational biophysics/chemistry or a
related discipline and experience with protein molecular dynamics 
simulations. Experience with the PLUMED enhanced sampling package is 
highly desirable. 

The ideal candidate has experience with intrinsically disordered
protein biophysics, experience integrating molecular simulations and
biophysical experiments, feels comfortable in high-dimensional spaces, 
and is interested in rational drug design.  

The computational methods of our group are tightly integrated with 
biophysical experiments, particularly from NMR spectroscopy, 
and opportunities exist to collaborate with experimental groups 
and/or conduct biophysical experiments in-house.  Our laboratory has 
access to excellent NMR facilities with high-throughput screening 

There is substantial freedom to develop projects of 
mutual interest spanning a broad range of research areas related
to IDP simulations, IDP molecular recognition, and IDP drug design.  
Potential projects may include any combination of: 

-Enhanced Sampling Method Development
-MD Analysis Methods (MSMs, Clustering, Dimensionality Reduction, 
Machine Learning)
-Small Molecule/Biologic Inhibitor Design
-Ensemble Based De Novo Design Algorithms 
-Protein aggregation inhibition
-Drugging biological condensates

Interested candidates should send an inquiry to 
Paul.J.Robustelli|, including a CV and a brief description
of your research experience, interests and aspirations, and examples of
code you have written or a link to a GitHub page.   

About Dartmouth: Dartmouth College is private Ivy League Research
University in Hanover, New Hampshire. The Dartmouth Department of Chemistry
is a highly collaborative department which, in addition to traditional 
focus areas in biophysical chemistry, organic synthesis, materials 
chemistry, and inorganic chemistry, is currently establishing a growing 
community of computational chemistry scholars.  Dartmouth Chemistry is
part of a broader biomedical research community at Dartmouth made up of
labs across the Dartmouth Geisel School of Medicine, Institute for
Biomolecular Targeting,  Molecular & Cellular Biology program and thev
Norris Cotton Cancer Center. 

Hanover, New Hampshire is located along the Connecticut River on the 
border of New Hampshire and Vermont in the idyllic Upper Valley Region. 
The Upper Valley is known for its scenic mountains, lakes, and rivers and 
its network of charming small towns.  The Upper Valley has a vibrant 
outdoor culture with extensive hiking, biking, and cross-country skiing
trails, canoeing and kayaking, and proximity to a number of downhill skiing
mountains.  Hanover is located 2-hours from Boston, MA, 1.5 hours from 
Burlington, VT, 2.5 hours from Portland Maine, and 3 hours from Montreal, 

All @ signs were changed to | to fight spam. Before you send e-mail, you need to change | to @
For example: change joe| to
Please let your prospective employer know that you learned about the job from the Computational Chemistry List Job Listing at If you are not interested in this particular position yourself, pass it to someone who might be -- some day they may return the favor.