activity
20212026
most citedDrug Discovery Approaches using Quantum Machine Learning

7 citations · 13 across the 10 of their papers we have counts for

collaborators

10 papers

math.NA2026

Vector alignment in matrix Lie groups

Congzhou M Sha

Two observers of the same physical system may differ in gauge by a group element acting on their common vector representations, and recovering that element from finite, noisy paire…

q-bio.BM2026

A putative, computationally stable structure of homotrimeric BP180/collagen XVII

Congzhou M Sha

Background: BP180, also known as collagen XVII and BPAG2 (bullous pemphigoid antigen 2), is a 180-kDa transmembrane protein within the hemidesmosomal plaque complex, and which is k…

cs.LG2025

On the continuity of flows

Congzhou M Sha

Flow matching has emerged as a powerful framework for generative modeling through continuous normalizing flows. We investigate a potential topological constraint: when the prior di…

physics.soc-ph2025

Mitigating collusion in Gold Humanism Honor Society nominations

Congzhou M Sha

An anecdotally common complaint regarding induction into the Gold Humanism Honor Society is the bias toward close friends during the initial nomination process. In this work, we nu…

math.NA2025

Optimal alignment of Lorentz orientation and generalization to matrix Lie groups

Congzhou M Sha

There exist elegant methods of aligning point clouds in . Unfortunately, these methods fail to generalize to the case of Minkowski space, as we will show. Instead, we…

hep-ph2024

tParton: Implementation of next-to-leading order evolution of transversity parton distribution functions

Congzhou M Sha, Bailing Ma

We provide code to solve the Dokshitzer-Gribov-Lipatov-Altarelli-Parisi (DGLAP) evolution equations for the nucleon transversity parton distribution functions (PDFs), which encode…

physics.med-ph2024

Charting a finite element, mechanical atlas of dermatologic wound closure

Congzhou M Sha

Wound geometry and the mechanical properties of human skin govern the failure modes of partially healed or scarred tissue. Though dermatologists and surgeons develop an intuitive u…

physics.comp-ph2023★ 2 cited

Differentiable Rotamer Sampling with Molecular Force Fields

Congzhou M. Sha, Jian Wang, Nikolay V. Dokholyan

Molecular dynamics is the primary computational method by which modern structural biology explores macromolecule structure and function. Boltzmann generators have been proposed as…

math.NA2021★ 4 cited

Simple exponential acceleration of the power iteration algorithm

Congzhou M Sha, Nikolay V Dokholyan

Many real-world problems rely on finding eigenvalues and eigenvectors of a matrix. The power iteration algorithm is a simple method for determining the largest eigenvalue and assoc…

cs.ET2021★ 7 cited

Drug Discovery Approaches using Quantum Machine Learning

Junde Li, Mahabubul Alam, Congzhou M Sha +3

Traditional drug discovery pipeline takes several years and cost billions of dollars. Deep generative and predictive models are widely adopted to assist in drug development. Classi…