Metastates and replica symmetry breaking
Assessment of an electrostatic energy-based charge model for modeling the electrostatic interactions in water solvent
An interoperable implementation of collective-variable based enhanced sampling methods in extended phase space within the OpenMM package
An exploration of machine learning models for the determination of reaction coordinates associated with conformational transitions
Beyond duality: Rationalizing repulsive coulomb barriers in host–guest cyclodextrin–dodecaborate complexes
Tracking the early stage of triplet-induced photodamage in a DNA dimer and oligomer containing 5-methylcytosine
Development of a polynomial scoring function P3-Score for improved scoring and ranking powers
Combined antibodies evusheld against the SARS-CoV-2 Omicron variants BA.1.1 and BA.5: Immune escape mechanism from molecular simulation
Chandrashekar Radhakrishnan
Visiting Associate Professor of Practice in Computer Science, NYU Shanghai
Email: cr2442@nyu.edu