William C. Swope - Publications, H-index & Citations

William C. Swope

genentech, inc.

37H指数

106论文数

1.3W被引数

收录论文 26

发表时间

Large-Scale Collaborative Assessment of Binding Free Energy Calculations for Drug Discovery Using OpenFE 利用OpenFE进行药物发现中结合自由能计算的大规模协作评估

Journal of Chemical Information and Modeling

IF5.3

2026-05-21

PREAI

Hannah M. Baumann; Joshua T. Horton; Michael M. Henry; Alyssa Travitz; Benjamin Ries; Richard J. Gowers; David W. H. Swenson; Iván Pulido; Dominic Rufa; David L. Dotson; Nupur Bansal; Joseph P. Bluck; Howard Broughton; Kira A. Campbell; Lili Cao; Benedikt Frieg; Vytautas Gapsys; Hendrik Göddeke; Marco Klähn; Sirish Kaushik Lakkaraju; Stephanie M. Linker; Thomas Löhr; Aniket Magarkar; Sergio Pérez-Conesa; Hans E. Purkey; Hayk Saribekyan; Jenke Scheen; Christina E. M. Schindler; Thomas Steinbrecher; Chaya D. Stern; Patricia Suriana; William C. Swope; Gary Tresadern; Lev Tsidilkovski; Binqing Wei; Alexander H. Williams; Yao Wu; Ivy Zhang; John D. Chodera; James R. B. Eastwood; David L. Mobley; Irfan Alibay

Topological Shape in Micellar Dynamics

ACS OMEGA

IF4.3

2024-03-29

OAAI

Peters, Thomas J.; Jordan, Kirk E.; Li, Ji; Gardner, Kirk; Conchuir, Breanndan O.; Swope, William C.; Vassiliadis, Vassilis; Johnston, Michael A.; Zaffetti, Peter

Collaborative Assessment of Molecular Geometries and Energies from the Open Force Field

JOURNAL OF CHEMICAL INFORMATION AND MODELING

IF5.3

2022-11-26

OAAI

D'Amore, Lorenzo; Hahn, David F.; Dotson, David L.; Horton, Joshua T.; Anwar, Jamshed; Craig, Ian; Fox, Thomas; Gobbi, Alberto; Lakkaraju, Sirish Kaushik; Lucas, Xavier; Meier, Katharina; Mobley, David L.; Narayanan, Arjun; Schindler, Christina E. M.; Swope, William C.; in't Veld, Pieter J.; Wagner, Jeffrey; Xue, Bai; Tresadern, Gary

The Role of Chemical Heterogeneity in Surfactant Adsorption at Solid-Liquid Interfaces

JOURNAL OF CHEMICAL THEORY AND COMPUTATION

IF5.5

2020-10-21

OAAI

Klebes, Jason; Finnigan, Sophie; Bray, David J.; Anderson, Richard L.; Swope, William C.; Johnston, Michael A.; Conchuir, Breanndan O.

Efficient Algorithm for the Topological Characterization of Worm-like and Branched Micelle Structures from Simulations

JOURNAL OF CHEMICAL THEORY AND COMPUTATION

IF5.5

2020-06-16

PREAI

Conchuir, Breanndan O.; Gardner, Kirk; Jordan, Kirk E.; Bray, David J.; Anderson, Richard L.; Johnston, Michael A.; Swope, William C.; Harrison, Alex; Sheehy, Donald R.; Peters, Thomas J.

A QM/MM Derived Polarizable Water Model for Molecular Simulation 用于分子模拟的QM/MM衍生的可极化水模型

MOLECULES

IF4.6

2018-11-29

OAAI

Visscher, Koen M.; Swope, William C.; Geerke, Daan P.

Spatial Distribution of Hydrophobic Drugs in Model Nanogel-Core Star Polymers

MACROMOLECULES

IF5.2

2017-12-05

OAAI

Wei, Guangmin; Prabhu, Vivek M.; Piunova, Victoria A.; Carr, Amber C.; Swope, William C.; Miller, Robert D.

ff14ipq: A Self-Consistent Force Field for Condensed-Phase Simulations of Proteins

JOURNAL OF CHEMICAL THEORY AND COMPUTATION

IF5.5

2014-10-02

OAAI

Cerutti, David S.; Swope, William C.; Rice, Julia E.; Case, David A.

Molecular Dynamics Simulations of Star Polymeric Molecules with Diblock Arms, a Comparative Study

JOURNAL OF CHEMICAL THEORY AND COMPUTATION

IF5.5

2012-06-08

PREAI

Swope, William C.; Carr, Amber C.; Parker, Amanda J.; Sly, Joseph; Miller, Robert D.; Rice, Julia E.

QM/MM-Based Fitting of Atomic Polarizabilities for Use in Condensed-Phase Biomolecular Simulation

JOURNAL OF CHEMICAL THEORY AND COMPUTATION

IF5.5

2012-04-27

PREAI

Vosmeer, C. Ruben; Rustenburg, Arien S.; Rice, Julia E.; Horn, Hans W.; Swope, William C.; Geerke, Daan P.

Toward biodegradable nanogel star polymers via organocatalytic ROP

CHEMICAL COMMUNICATIONS

IF4.2

2012-01-01

PREAI

Appel, Eric A.; Lee, Victor Y.; Nguyen, Timothy T.; McNeil, Melanie; Nederberg, Frederik; Hedrick, James L.; Swope, William C.; Rice, Jullia E.; Miller, Robert D.; Sly, Joseph

Alchemical prediction of hydration free energies for SAMPL SAMPL水合自由能的炼金术预测

JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN

IF3.1

2011-12-24

OAAI

Mobley, David L.; Liu, Shaui; Cerutti, David S.; Swope, William C.; Rice, Julia E.

Dynamical reweighting: Improved estimates of dynamical properties from simulations at multiple temperatures

JOURNAL OF CHEMICAL PHYSICS

IF3.1

2011-06-24

OAAI

Chodera, John D.; Swope, William C.; Noe, Frank; Prinz, Jan-Hendrik; Shirts, Michael R.; Pande, Vijay S.

Optimal use of data in parallel tempering simulations for the construction of discrete-state Markov models of biomolecular dynamics

JOURNAL OF CHEMICAL PHYSICS

IF3.1

2011-06-24

OAAI

Prinz, Jan-Hendrik; Chodera, John D.; Pande, Vijay S.; Swope, William C.; Smith, Jeremy C.; Noe, Frank

Observation of noncooperative folding thermodynamics in simulations of 1BBL

BIOPHYSICAL JOURNAL

IF3.1

2008-06-01

OAAI

Pitera, Jed W.; Swope, William C.; Abraham, Farid F.

The reaction mechanism for the organocatalytic ring-opening polymerization of L-lactide using a guanidine-based catalyst: Hydrogen-bonded or covalently bound?

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

IF15.6

2008-05-03

258

PREAI

Chuma, Anthony; Horn, Hans W.; Swope, William C.; Pratt, Russell C.; Zhang, Lei; Lohmeijer, Bas G. G.; Wade, Charles G.; Waymouth, Robert M.; Hedrick, James L.; Rice, Julia E.

Automatic discovery of metastable states for the construction of Markov models of macromolecular conformational dynamics

JOURNAL OF CHEMICAL PHYSICS

IF3.1

2007-04-19

622

PREAI

Chodera, John D.; Singhal, Nina; Pande, Vijay S.; Dill, Ken A.; Swope, William C.

Use of the weighted histogram analysis method for the analysis of simulated and parallel tempering simulations

JOURNAL OF CHEMICAL THEORY AND COMPUTATION

IF5.5

2006-11-09

452