Marc Descoteaux - Publications, H-index & Citations

Marc Descoteaux

harvard university

9H指数

14论文数

234被引数

收录论文 8

发表时间

High-performance training and inference for deep equivariant interatomic potentials 深等变原子间势的高性能训练和推理

Digital Discovery

IF5.6

2026-03-27

OAAI

Chuin Wei Tan †; Marc L. Descoteaux †; Mit Kotak; Gabriel de Miranda Nascimento; Seán R. Kavanagh; Laura Zichi; Menghang Wang; Aadit Saluja; Yizhong R. Hu; Tess Smidt; Anders Johansson; William C. Witt; Boris Kozinsky; Albert Musaelian

Fast Generation of Simulation-Quality Structural Ensembles of Mixed-Chirality Cyclic Peptides via Diffusion Models 通过扩散模型快速生成具有仿真质量的混合手性环肽结构集合

Journal of Chemical Theory and Computation

IF5.5

2026-03-12

PREAI

Nomindari Bayaraa; Maxim Secor; Marc L. Descoteaux; Yu-Shan Lin

Unified differentiable learning of electric response 统一可微学习电响应

NATURE COMMUNICATIONS

IF15.7

2025-04-29

OAAI

Falletta, Stefano; Cepellotti, Andrea; Johansson, Anders; Tan, Chuin Wei; Descoteaux, Marc L.; Musaelian, Albert; Owen, Cameron J.; Kozinsky, Boris

Training Neural Network Models Using Molecular Dynamics Simulation Results to Efficiently Predict Cyclic Hexapeptide Structural Ensembles

JOURNAL OF CHEMICAL THEORY AND COMPUTATION

IF5.5

2023-05-26

OAAI

Hui, Tiffani; Descoteaux, Marc L. L.; Miao, Jiayuan; Lin, Yu-Shan

Feedback-controlled dynamics of neuronal cells on directional surfaces

BIOPHYSICAL JOURNAL

IF3.1

2022-03-01

OAAI

Descoteaux, Marc; Sunnerberg, Jacob P.; Brady, Donovan D.; Staii, Cristian

Sugar Functionalization of Silks with Pathway-Controlled Substitution and Properties

ADVANCED BIOLOGY

IF2.6

2021-04-30

OAAI

Sahoo, Jugal Kishore; Hasturk, Onur; Choi, Jaewon; Montero, Maria M.; Descoteaux, Marc L.; Laubach, Isabel A.; Kaplan, David L.

Structure prediction of cyclic peptides by molecular dynamics plus machine learning

CHEMICAL SCIENCE

IF7.4

2021-01-01

OAAI

Miao, Jiayuan; Descoteaux, Marc L.; Lin, Yu-Shan

Silk degumming time controls horseradish peroxidase-catalyzed hydrogel properties

BIOMATERIALS SCIENCE

IF5.7

2020-01-01

OAAI

Sahoo, Jugal Kishore; Choi, Jaewon; Hasturk, Onur; Laubach, Isabel; Descoteaux, Marc L.; Mosurkal, Shreyas; Wang, Boyang; Zhang, Nina; Kaplan, David L.

研究方向