Arjan van der Vaart

Publication Activity (10 Years)

Years Active: 2016-2024
Publications (10 Years): 13

Top Topics

Epidermal Growth Factor Receptor

Molecular Dynamics Simulations

Top Venues

Angewandte Chemie (International ed. in English)

The journal of physical chemistry. B

Journal of chemical information and modeling

Journal of the American Chemical Society

This page only lists publications with an associated author ORCID identifier.

Publications

Wonmuk Hwang, Steven L Austin, Arnaud Blondel, Eric D Boittier, Stefan Boresch, Matthias Buck, Joshua Buckner, Amedeo Caflisch, Hao-Ting Chang, Xi Cheng, Yeol Kyo Choi, Jhih-Wei Chu, Michael F Crowley, Qiang Cui, Ana Damjanovic, Yuqing Deng, Michael Devereux, Xinqiang Ding, Michael F Feig, Jiali Gao, David R Glowacki, James E Gonzales, Mehdi Bagerhi Hamaneh, Edward D Harder, Ryan L Hayes, Jing Huang, Yandong Huang, Phillip S Hudson, Wonpil Im, Shahidul M Islam, Wei Jiang, Michael R Jones, Silvan Käser, Fiona L Kearns, Nathan R Kern, Jeffery B Klauda, Themis Lazaridis, Jinhyuk Lee, Justin A Lemkul, Xiaorong Liu, Yun Lyna Luo, Alexander D MacKerell, Dan Thomas Major, Markus Meuwly, Kwangho Nam, Lennart Nilsson, Victor Ovchinnikov, Emanuele Paci, Soohyung Park, Richard W Pastor, Amanda R Pittman, Carol Beth Post, Samarjeet Prasad, Jingzhi Pu, John Z H Zhang, Thenmalarchelvi Rathinavelan, Daniel R Roe, Benoı T Roux, Christopher N Rowley, Jana Shen, Andrew C Simmonett, Alexander J Sodt, Kai Töpfer, Meenu Upadhyay, Arjan van der Vaart, Luis Itza Vazquez-Salazar, Richard M Venable, Luke C Warrensford, H Lee Woodcock, Yujin Wu, Charles L Brooks Iii, Bernard R Brooks, Martin Karplus
CHARMM at 45: Enhancements in Accessibility, Functionality, and Speed. The journal of physical chemistry. B (2024)
Paul B Orndorff, Sang T Le Phan, Ka Ho Li, Arjan van der Vaart
Conformational Free-Energy Differences of Large Solvated Systems with the Focused Confinement Method. Journal of chemical theory and computation 16 (8) (2020)
Arjan van der Vaart, Paul B Orndorff, Sang T Le Phan
Calculation of Conformational Free Energies with the Focused Confinement Method. Journal of chemical theory and computation 15 (12) (2019)
Min Young Kim, Insung Na, Ji Sook Kim, Seung Han Son, Sungwoo Choi, Seol Eui Lee, Ji Hun Kim, Kiseok Jang, Gil Alterovitz, Yu Chen, Arjan van der Vaart, Hyung-Sik Won, Vladimir N Uversky, Chul Geun Kim
Rational discovery of antimetastatic agents targeting the intrinsically disordered region of MBD2. Science advances 5 (11) (2019)
Peng Teng, Geoffrey M Gray, Mengmeng Zheng, Sylvia Singh, Xiaopeng Li, Lukasz Wojtas, Arjan van der Vaart, Jianfeng Cai
Orthogonal Halogen-Bonding-Driven 3D Supramolecular Assembly of Right-Handed Synthetic Helical Peptides. Angewandte Chemie (International ed. in English) 58 (23) (2019)
Fengyu She, Peng Teng, Alfredo Peguero-Tejada, Minghui Wang, Ning Ma, Timothy Odom, Mi Zhou, Erald Gjonaj, Lukasz Wojtas, Arjan van der Vaart, Jianfeng Cai
De Novo Left-Handed Synthetic Peptidomimetic Foldamers. Angewandte Chemie (International ed. in English) 57 (31) (2018)
Peng Teng, Zheng Niu, Fengyu She, Mi Zhou, Peng Sang, Geoffrey M Gray, Gaurav Verma, Lukasz Wojtas, Arjan van der Vaart, Shengqian Ma, Jianfeng Cai
Hydrogen-Bonding-Driven 3D Supramolecular Assembly of Peptidomimetic Zipper. Journal of the American Chemical Society 140 (17) (2018)
Ning Ma, Arjan van der Vaart
[KCl] Dependence of B-DNA Groove Bending Anisotropy. The journal of physical chemistry. B 121 (21) (2017)
Yan Shi, Sridevi Challa, Peng Sang, Fengyu She, Chunpu Li, Geoffrey M Gray, Alekhya Nimmagadda, Peng Teng, Timothy Odom, Yan Wang, Arjan van der Vaart, Qi Li, Jianfeng Cai
One-Bead-Two-Compound Thioether Bridged Macrocyclic γ-AApeptide Screening Library against EphA2. Journal of medicinal chemistry 60 (22) (2017)
Geoffrey M Gray, Ning Ma, Carl E Wagner, Arjan van der Vaart
Molecular dynamics simulations and molecular flooding studies of the retinoid X-receptor ligand binding domain. Journal of molecular modeling 23 (3) (2017)
Ning Ma, Arjan van der Vaart
Free Energy Coupling between DNA Bending and Base Flipping. Journal of chemical information and modeling 57 (8) (2017)
Peng Teng, Ning Ma, Darrell Cole Cerrato, Fengyu She, Timothy Odom, Xiang Wang, Li-June Ming, Arjan van der Vaart, Lukasz Wojtas, Hai Xu, Jianfeng Cai
Right-Handed Helical Foldamers Consisting of De Novo d-AApeptides. Journal of the American Chemical Society 139 (21) (2017)
Alfredo Peguero-Tejada, Arjan van der Vaart
Biasing Simulations of DNA Base Pair Parameters with Application to Propellor Twisting in AT/AT, AA/TT, and AC/GT Steps and Their Uracil Analogs. Journal of chemical information and modeling 57 (1) (2016)